CS-1004030
Benzoic acid, 3-[[[(2R,4R)-4-mercapto-2-pyrrolidinyl]carbonyl]amino]-, hydrochloride 1:1
Manufacturer: ChemScene
CAS Number: 503607-49-6
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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
C₁₂H₁₅ClN₂O₃S
Molecular Weight
302.78
Synonyms
None
SMILES
C(NC1=CC(C(O)=O)=CC=C1)(=O)[C@H]2C[C@@H](S)CN2.Cl
Tpsa
78.43
Logp
1.4054
H Acceptors
4
H Donors
4
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 503607-49-6 | Ertapenem Side Chain Enantiomer 2 HCl | A2B Chem | -- |
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₂H₁₅ClN₂O₃S
Molecular Weight: 302.78
Synonyms: None
SMILES: C(NC1=CC(C(O)=O)=CC=C1)(=O)[C@H]2C[C@@H](S)CN2.Cl
Tpsa: 78.43
Logp: 1.4054
H Acceptors: 4
H Donors: 4
Rotatable Bonds: 3
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₅ClN₂O₃S
Molecular Weight:
302.78
Synonyms:
None
SMILES:
C(NC1=CC(C(O)=O)=CC=C1)(=O)[C@H]2C[C@@H](S)CN2.Cl
Tpsa:
78.43
Logp:
1.4054
H Acceptors:
4
H Donors:
4
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: C₄H₆O₂
Molecular Weight: 86.09
Synonyms: None
SMILES: C(\C(O)=O)=C\C
Tpsa: 37.3
Logp: 0.6471
H Acceptors: 1
H Donors: 1
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:
C₄H₆O₂
Molecular Weight:
86.09
Synonyms:
None
SMILES:
C(\C(O)=O)=C\C
Tpsa:
37.3
Logp:
0.6471
H Acceptors:
1
H Donors:
1
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: C₁₁H₁₃N₃O₅
Molecular Weight: 267.24
Synonyms: None
SMILES: O[C@H]1[C@]2([C@](N3C(O2)=NC(=NC(C)=O)C=C3)(O[C@@H]1CO)[H])[H]
Tpsa: 106.17
Logp: -1.6581
H Acceptors: 7
H Donors: 2
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:
C₁₁H₁₃N₃O₅
Molecular Weight:
267.24
Synonyms:
None
SMILES:
O[C@H]1[C@]2([C@](N3C(O2)=NC(=NC(C)=O)C=C3)(O[C@@H]1CO)[H])[H]
Tpsa:
106.17
Logp:
-1.6581
H Acceptors:
7
H Donors:
2
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: C₁₂H₁₇N₅O₅
Molecular Weight: 311.29
Synonyms: None
SMILES: O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=C(OCC)N3)O[C@H](CO)[C@H]1O
Tpsa: 148.77
Logp: -1.5813
H Acceptors: 10
H Donors: 4
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:
C₁₂H₁₇N₅O₅
Molecular Weight:
311.29
Synonyms:
None
SMILES:
O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=C(OCC)N3)O[C@H](CO)[C@H]1O
Tpsa:
148.77
Logp:
-1.5813
H Acceptors:
10
H Donors:
4
Rotatable Bonds:
4