J1.566.024D
TL;DR: J1.566.024D (CAS 113141-75-6) is a chemical compound with molecular formula C13H12N2O4S and molecular weight 292.05 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-3-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Also Known As: J1.566.024D, (5R,6S)-6-[(1R)-1-HYDROXYETHYL]-7-OXO-3-(PYRIDIN-3-YL)-4-THIA-1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID, (5R,6S)-6-[(R)-1-Hydroxyethyl]-7-oxo-3-(3-pyridinyl)-4-thia-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylic acid, 4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[(1R)-1-hydroxyethyl]-7-oxo-3-(3-pyridinyl)-, (5R,6S)-
| Molecular Formula | C13H12N2O4S |
|---|---|
| Molecular Weight | 292.05 g/mol |
| LogP | 0.7469 |
| Topological Polar Surface Area | 90.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.0518 |
| Heavy Atoms | 20 |
| Complexity | 614.057 |
Chemical Identifiers
| CAS Number | 113141-75-6 |
|---|---|
| SMILES | C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)C3=CN=CC=C3)C(=O)O)O |
Product Overview
J1.566.024D (CAS 113141-75-6), with molecular formula C13H12N2O4S and molecular weight 292.05 g/mol. IUPAC: (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-pyridin-3-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
Chemical Property Profile of J1.566.024D
Property Insights of J1.566.024D
The XLogP value of 0.7469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.566.024D. The TPSA of 90.73 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.566.024D. Following Lipinski's Rule of Five, J1.566.024D 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 J1.566.024D?
The CAS number of J1.566.024D is 113141-75-6.
What is the molecular formula of J1.566.024D?
The molecular formula of J1.566.024D is C13H12N2O4S.
What is the molecular weight of J1.566.024D?
The molecular weight of J1.566.024D is 292.05 g/mol.
Where can I buy J1.566.024D?
You can request a quote for J1.566.024D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.566.024D?
Yes, KEHONG BIO provides custom synthesis services for J1.566.024D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.