CS-0012130
3-[[4-[[[(1,1-Dimethylethoxy)carbonyl]amino][[(1,1-dimethylethoxy)carbonyl]imino]methyl]-1-piperazinyl]methyl]-5-nitrobenzoic acid
Manufacturer: ChemScene
CAS Number: 1379574-10-3
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₃H₃₃N₅O₈
Molecular Weight
507.54
Synonyms
ZEPCPNXUCHPQCN-UHFFFAOYSA-N
SMILES
O=C(O)C1=CC([N+]([O-])=O)=CC(CN2CCN(/C(NC(OC(C)(C)C)=O)=N/C(OC(C)(C)C)=O)CC2)=C1
Tpsa
163.91
Logp
3.2264
H Acceptors
8
H Donors
2
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1379574-10-3 | 3-[[4-[[[(1,1-Dimethylethoxy)carbonyl]amino][[(1,1-dimethylethoxy)carbonyl]imino]methyl]-1-piperazinyl]methyl]-5-nitrobenzoic acid | A2B Chem | -- |
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₃₃N₅O₈
Molecular Weight: 507.54
Synonyms: ZEPCPNXUCHPQCN-UHFFFAOYSA-N
SMILES: O=C(O)C1=CC([N+]([O-])=O)=CC(CN2CCN(/C(NC(OC(C)(C)C)=O)=N/C(OC(C)(C)C)=O)CC2)=C1
Tpsa: 163.91
Logp: 3.2264
H Acceptors: 8
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₃N₅O₈
Molecular Weight:
507.54
Synonyms:
ZEPCPNXUCHPQCN-UHFFFAOYSA-N
SMILES:
O=C(O)C1=CC([N+]([O-])=O)=CC(CN2CCN(/C(NC(OC(C)(C)C)=O)=N/C(OC(C)(C)C)=O)CC2)=C1
Tpsa:
163.91
Logp:
3.2264
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD00011692
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₉NO₂S
Molecular Weight: 171.22
Synonyms: None
SMILES: O=S(C1=CC=C(C)C=C1)(N)=O
Tpsa: 60.16
Logp: 0.64242
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD00011692
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₉NO₂S
Molecular Weight:
171.22
Synonyms:
None
SMILES:
O=S(C1=CC=C(C)C=C1)(N)=O
Tpsa:
60.16
Logp:
0.64242
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 97%
MDL No: MFCD03196508
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₇NO₃S
Molecular Weight: 185.20
Synonyms: Benzenesulfonamide, p-formyl- (7CI,8CI); 4-Formylbenzenesulfonamide; 4-Sulfamoylbenzaldehyde; p-(Aminosulfonyl)benzaldehyde; p-Formylbenzenesulfonamide; 4-Desaminomethyl 4-Formylmafenide
SMILES: O=S(C1=CC=C(C=O)C=C1)(N)=O
Tpsa: 77.23
Logp: 0.1465
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
MFCD03196508
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₇NO₃S
Molecular Weight:
185.20
Synonyms:
Benzenesulfonamide, p-formyl- (7CI,8CI); 4-Formylbenzenesulfonamide; 4-Sulfamoylbenzaldehyde; p-(Aminosulfonyl)benzaldehyde; p-Formylbenzenesulfonamide; 4-Desaminomethyl 4-Formylmafenide
SMILES:
O=S(C1=CC=C(C=O)C=C1)(N)=O
Tpsa:
77.23
Logp:
0.1465
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD08144704
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₄N₂O₂
Molecular Weight: 218.25
Synonyms: Tryptophan, methyl ester, L- (6CI,7CI,8CI); (S)-2-Amino-3-(1H-indol-3-yl)propionic acid methyl ester; L-Tryptophan methyl ester; L-Tryptophane methyl ester; Methyl L-tryptophanate; S-Tryptophan methyl este; Tryptophan methyl ester hydrochloride
SMILES: N[C@H](C(OC)=O)CC1=CNC2=C1C=CC=C2
Tpsa: 68.11
Logp: 1.2107
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD08144704
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₄N₂O₂
Molecular Weight:
218.25
Synonyms:
Tryptophan, methyl ester, L- (6CI,7CI,8CI); (S)-2-Amino-3-(1H-indol-3-yl)propionic acid methyl ester; L-Tryptophan methyl ester; L-Tryptophane methyl ester; Methyl L-tryptophanate; S-Tryptophan methyl este; Tryptophan methyl ester hydrochloride
SMILES:
N[C@H](C(OC)=O)CC1=CNC2=C1C=CC=C2
Tpsa:
68.11
Logp:
1.2107
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3