CS-0749364
(2S)-2-Amino-6-[1-(6-nitro-1,3-benzodioxol-5-yl)ethoxycarbonylamino]hexanoic acid;2,2,2-trifluoroacetic acid
Manufacturer: ChemScene
CAS Number: 1333312-97-2
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₈H₂₂F₃N₃O₁₀
Molecular Weight
497.38
Synonyms
None
SMILES
OC(=O)C(F)(F)F.CC(OC(=O)NCCCC[C@H](N)C(O)=O)C1=CC2=C(OCO2)C=C1[N+]([O-])=O
Tpsa
200.55
Logp
2.3262
H Acceptors
9
H Donors
4
Rotatable Bonds
9
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1333312-97-2 | (2S)-2-amino-6-{[1-(6-nitrobenzo[d][1,3]dioxol-5-yl)ethoxy]carbonylamino} hexanoic acid trifluoroacetate salt | 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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₂F₃N₃O₁₀
Molecular Weight: 497.38
Synonyms: None
SMILES: OC(=O)C(F)(F)F.CC(OC(=O)NCCCC[C@H](N)C(O)=O)C1=CC2=C(OCO2)C=C1[N+]([O-])=O
Tpsa: 200.55
Logp: 2.3262
H Acceptors: 9
H Donors: 4
Rotatable Bonds: 9
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₂F₃N₃O₁₀
Molecular Weight:
497.38
Synonyms:
None
SMILES:
OC(=O)C(F)(F)F.CC(OC(=O)NCCCC[C@H](N)C(O)=O)C1=CC2=C(OCO2)C=C1[N+]([O-])=O
Tpsa:
200.55
Logp:
2.3262
H Acceptors:
9
H Donors:
4
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₃BrCl₂N₂
Molecular Weight: 241.90
Synonyms: None
SMILES: NC1=C(Cl)C=C(Cl)N=C1Br
Tpsa: 38.91
Logp: 2.7331
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₃BrCl₂N₂
Molecular Weight:
241.90
Synonyms:
None
SMILES:
NC1=C(Cl)C=C(Cl)N=C1Br
Tpsa:
38.91
Logp:
2.7331
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₀BrNS
Molecular Weight: 232.14
Synonyms: None
SMILES: BrC1=CC=C(S1)N1CCCC1
Tpsa: 3.24
Logp: 3.1108
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₀BrNS
Molecular Weight:
232.14
Synonyms:
None
SMILES:
BrC1=CC=C(S1)N1CCCC1
Tpsa:
3.24
Logp:
3.1108
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₃BrN₂O₂S
Molecular Weight: 293.18
Synonyms: None
SMILES: CC(C)(C)NS(=O)(=O)C1=NC=C(Br)C=C1
Tpsa: 59.06
Logp: 1.9209
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₃BrN₂O₂S
Molecular Weight:
293.18
Synonyms:
None
SMILES:
CC(C)(C)NS(=O)(=O)C1=NC=C(Br)C=C1
Tpsa:
59.06
Logp:
1.9209
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2