1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(4-pyridinylthio)-, (5R-(5-alpha,6-alpha(R*)))-
TL;DR: 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(4-pyridinylthio)-, (5R-(5-alpha,6-alpha(R*)))- (CAS 81520-91-4) is a chemical compound with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-pyridin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Also Known As: 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(4-pyridinylthio)-, (5R-(5-alpha,6-alpha(R*)))-, (5R,6S)-6-(1-HYDROXYETHYL)-7-OXO-3-(PYRIDIN-4-YL)SULFANYL-1-AZABICYCLO[3 .2.0]HEPT-2-ENE-2-CARBOXYLIC ACID, (5R,6S)-6-[(1R)-1-Hydroxyethyl]-7-oxo-3-[(pyridin-4-yl)sulfanyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-pyridin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-(1-Hydroxyethyl)-7-oxo-3-[(pyridin-4-yl)sulfanyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
| Molecular Formula | C14H14N2O4S |
|---|---|
| Molecular Weight | 306.07 g/mol |
| LogP | 1.0814 |
| Topological Polar Surface Area | 90.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.0674 |
| Heavy Atoms | 21 |
| Complexity | 629.121 |
Chemical Identifiers
| CAS Number | 81520-91-4 |
|---|---|
| SMILES | C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SC3=CC=NC=C3)O |
Product Overview
1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(4-pyridinylthio)-, (5R-(5-alpha,6-alpha(R*)))- (CAS 81520-91-4), with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol. IUPAC: (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-pyridin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
Chemical Property Profile of 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(4-pyridinylthio)-, (5R-(5-alpha,6-alpha(R*)))-
Property Insights of 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(4-pyridinylthio)-, (5R-(5-alpha,6-alpha(R*)))-
The XLogP value of 1.0814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(4-pyridinylthio)-, (5R-(5-alpha,6-alpha(R*)))-. The TPSA of 90.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(4-pyridinylthio)-, (5R-(5-alpha,6-alpha(R*)))-. Following Lipinski's Rule of Five, 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(4-pyridinylthio)-, (5R-(5-alpha,6-alpha(R*)))- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(4-pyridinylthio)-, (5R-(5-alpha,6-alpha(R*)))-?
The CAS number of 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(4-pyridinylthio)-, (5R-(5-alpha,6-alpha(R*)))- is 81520-91-4.
What is the molecular formula of 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(4-pyridinylthio)-, (5R-(5-alpha,6-alpha(R*)))-?
The molecular formula of 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(4-pyridinylthio)-, (5R-(5-alpha,6-alpha(R*)))- is C14H14N2O4S.
What is the molecular weight of 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(4-pyridinylthio)-, (5R-(5-alpha,6-alpha(R*)))-?
The molecular weight of 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(4-pyridinylthio)-, (5R-(5-alpha,6-alpha(R*)))- is 306.07 g/mol.
Where can I buy 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(4-pyridinylthio)-, (5R-(5-alpha,6-alpha(R*)))-?
You can request a quote for 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(4-pyridinylthio)-, (5R-(5-alpha,6-alpha(R*)))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(4-pyridinylthio)-, (5R-(5-alpha,6-alpha(R*)))-?
Yes, KEHONG BIO provides custom synthesis services for 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(4-pyridinylthio)-, (5R-(5-alpha,6-alpha(R*)))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.