AB00758456-01
TL;DR: AB00758456-01 (CAS 877796-39-9) is a chemical compound with molecular formula C14H12ClN3O2S and molecular weight 321.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[3-(4-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide
Also Known As: AB00758456-01, 2-[3-(4-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide, (2Z)-2-[3-(4-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide
| Molecular Formula | C14H12ClN3O2S |
|---|---|
| Molecular Weight | 321.03 g/mol |
| LogP | 2.28948 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.03387 |
| Heavy Atoms | 21 |
| Complexity | 663.7919 |
Chemical Identifiers
| CAS Number | 877796-39-9 |
|---|---|
| SMILES | CC1C(=O)N(/C(=C(\C#N)/C(=O)NC)/S1)C2=CC=C(C=C2)Cl |
Product Overview
AB00758456-01 (CAS 877796-39-9), with molecular formula C14H12ClN3O2S and molecular weight 321.03 g/mol. IUPAC: (2Z)-2-[3-(4-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide.
Chemical Property Profile of AB00758456-01
Property Insights of AB00758456-01
The XLogP value of 2.28948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00758456-01. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00758456-01. Following Lipinski's Rule of Five, AB00758456-01 has 1 hydrogen bond donor(s) and 4 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 AB00758456-01?
The CAS number of AB00758456-01 is 877796-39-9.
What is the molecular formula of AB00758456-01?
The molecular formula of AB00758456-01 is C14H12ClN3O2S.
What is the molecular weight of AB00758456-01?
The molecular weight of AB00758456-01 is 321.03 g/mol.
Where can I buy AB00758456-01?
You can request a quote for AB00758456-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00758456-01?
Yes, KEHONG BIO provides custom synthesis services for AB00758456-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.