CS-0128088
(S)-3-(tert-Butoxycarbonyl)-6-((tert-butoxycarbonyl)amino)-5-oxo-6,7-dihydro-1H,5H-pyrazolo[1,2-a]pyrazole-2-carboxylic acid
Manufacturer: ChemScene
CAS Number: 122548-51-0
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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
C₁₇H₂₅N₃O₇
Molecular Weight
383.40
Synonyms
None
SMILES
O=C1[C@@H](NC(OC(C)(C)C)=O)CN2N1C(C(OC(C)(C)C)=O)=C(C(O)=O)C2
Tpsa
125.48
Logp
0.6329
H Acceptors
7
H Donors
2
Rotatable Bonds
3
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: C₁₇H₂₅N₃O₇
Molecular Weight: 383.40
Synonyms: None
SMILES: O=C1[C@@H](NC(OC(C)(C)C)=O)CN2N1C(C(OC(C)(C)C)=O)=C(C(O)=O)C2
Tpsa: 125.48
Logp: 0.6329
H Acceptors: 7
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₅N₃O₇
Molecular Weight:
383.40
Synonyms:
None
SMILES:
O=C1[C@@H](NC(OC(C)(C)C)=O)CN2N1C(C(OC(C)(C)C)=O)=C(C(O)=O)C2
Tpsa:
125.48
Logp:
0.6329
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD32689663
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₇N₅O₇
Molecular Weight: 425.44
Synonyms: None
SMILES: O=C(O)CN1CCN(CC(NCCN2C(C=CC2=O)=O)=O)CCN(CC(O)=O)CC1
Tpsa: 150.8
Logp: -2.8836
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 9
Purity:
98%
MDL No:
MFCD32689663
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₇N₅O₇
Molecular Weight:
425.44
Synonyms:
None
SMILES:
O=C(O)CN1CCN(CC(NCCN2C(C=CC2=O)=O)=O)CCN(CC(O)=O)CC1
Tpsa:
150.8
Logp:
-2.8836
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
9
Purity: 97%
MDL No: MFCD30747764
Storage: -20°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₄N₄O₈
Molecular Weight: 400.38
Synonyms: None
SMILES: O=C(O)CN1CCN(CC(ON2C(CCC2=O)=O)=O)CCN(CC(O)=O)CC1
Tpsa: 148
Logp: -2.3176
H Acceptors: 9
H Donors: 2
Rotatable Bonds: 7
Purity:
97%
MDL No:
MFCD30747764
Storage:
-20°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₄N₄O₈
Molecular Weight:
400.38
Synonyms:
None
SMILES:
O=C(O)CN1CCN(CC(ON2C(CCC2=O)=O)=O)CCN(CC(O)=O)CC1
Tpsa:
148
Logp:
-2.3176
H Acceptors:
9
H Donors:
2
Rotatable Bonds:
7
Purity: 98%
MDL No: MFCD28053554
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₃ClN₂O₂
Molecular Weight: 262.78
Synonyms: trans-Cyclooctene-amine hydrochloride salt
SMILES: O=C(OC1CC/C=C\CCC1)NCCCN.[H]Cl
Tpsa: 64.35
Logp: 2.3721
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
MFCD28053554
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₃ClN₂O₂
Molecular Weight:
262.78
Synonyms:
trans-Cyclooctene-amine hydrochloride salt
SMILES:
O=C(OC1CC/C=C\CCC1)NCCCN.[H]Cl
Tpsa:
64.35
Logp:
2.3721
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
4