L 640876
TL;DR: L 640876 (CAS 82040-44-6) is a chemical compound with molecular formula C22H21N7O3S2 and molecular weight 495.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[(1-benzylpyridin-1-ium-4-yl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: KST-1A8389, L 640876, L-640876, L-640,876, (6R,7R)-7-[(1-benzylpyridin-1-ium-4-yl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
| Molecular Formula | C22H21N7O3S2 |
|---|---|
| Molecular Weight | 495.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.11472 |
| Heavy Atoms | 34 |
| Complexity | 796.0 |
Chemical Identifiers
| CAS Number | 82040-44-6 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC4=CC=[N+](C=C4)CC5=CC=CC=C5)SC2)C(=O)[O-] |
| InChIKey | MZRVUZHPHNYXTK-YLJYHZDGSA-N |
Product Overview
L 640876 (CAS 82040-44-6), with molecular formula C22H21N7O3S2 and molecular weight 495.11 g/mol. IUPAC: (6R,7R)-7-[(1-benzylpyridin-1-ium-4-yl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of L 640876
Property Insights of L 640876
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L 640876. The TPSA of 171.0 Ų indicates high polarity, suggesting L 640876 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L 640876 has 1 hydrogen bond donor(s) and 9 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 L 640876?
The CAS number of L 640876 is 82040-44-6.
What is the molecular formula of L 640876?
The molecular formula of L 640876 is C22H21N7O3S2.
What is the molecular weight of L 640876?
The molecular weight of L 640876 is 495.11 g/mol.
Where can I buy L 640876?
You can request a quote for L 640876 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L 640876?
Yes, KEHONG BIO provides custom synthesis services for L 640876 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.