CS-1013990
(2S,5R,6R)-6-Benzamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, sodium salt
Manufacturer: ChemScene
CAS Number: 20520-31-4
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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
C₁₅H₁₆N₂NaO₄S
Molecular Weight
343.35
Synonyms
None
SMILES
C(O)(=O)[C@@H]1N2[C@@]([C@H](NC(=O)C3=CC=CC=C3)C2=O)(SC1(C)C)[H].[Na]
Tpsa
86.71
Logp
0.5511
H Acceptors
4
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: C₁₅H₁₆N₂NaO₄S
Molecular Weight: 343.35
Synonyms: None
SMILES: C(O)(=O)[C@@H]1N2[C@@]([C@H](NC(=O)C3=CC=CC=C3)C2=O)(SC1(C)C)[H].[Na]
Tpsa: 86.71
Logp: 0.5511
H Acceptors: 4
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:
C₁₅H₁₆N₂NaO₄S
Molecular Weight:
343.35
Synonyms:
None
SMILES:
C(O)(=O)[C@@H]1N2[C@@]([C@H](NC(=O)C3=CC=CC=C3)C2=O)(SC1(C)C)[H].[Na]
Tpsa:
86.71
Logp:
0.5511
H Acceptors:
4
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: C₅H₁₂N₂O
Molecular Weight: 116.16
Synonyms: None
SMILES: [C@H](C(C)C)(C(N)=O)N
Tpsa: 69.11
Logp: -0.545
H Acceptors: 2
H Donors: 2
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:
C₅H₁₂N₂O
Molecular Weight:
116.16
Synonyms:
None
SMILES:
[C@H](C(C)C)(C(N)=O)N
Tpsa:
69.11
Logp:
-0.545
H Acceptors:
2
H Donors:
2
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: C₁₈H₂₄O
Molecular Weight: 256.38
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(O)=CC4)(CC1)[H])[H])(CCC2)[H]
Tpsa: 20.23
Logp: 4.6384
H Acceptors: 1
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:
C₁₈H₂₄O
Molecular Weight:
256.38
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(O)=CC4)(CC1)[H])[H])(CCC2)[H]
Tpsa:
20.23
Logp:
4.6384
H Acceptors:
1
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: C₁₈H₂₄O
Molecular Weight: 256.38
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC=CC4)(CC1)[H])[H])(CC[C@@H]2O)[H]
Tpsa: 20.23
Logp: 3.9036
H Acceptors: 1
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:
C₁₈H₂₄O
Molecular Weight:
256.38
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC=CC4)(CC1)[H])[H])(CC[C@@H]2O)[H]
Tpsa:
20.23
Logp:
3.9036
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
0