AB00686081-01
TL;DR: AB00686081-01 (CAS 488108-74-3) is a chemical compound with molecular formula C18H13ClN4O4S and molecular weight 416.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-chloro-2-oxo-5-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]-1,3-thiazol-3-yl]methyl]benzoic acid
Also Known As: AB00686081-01, (E)-3-((4-chloro-5-((2-isonicotinoylhydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoic acid, AT-057/40872471, F1463-0213, 3-[[4-chloro-2-oxo-5-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]-1,3-thiazol-3-yl]methyl]benzoic acid
| Molecular Formula | C18H13ClN4O4S |
|---|---|
| Molecular Weight | 416.03 g/mol |
| LogP | 2.4686 |
| Topological Polar Surface Area | 113.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.0346 |
| Heavy Atoms | 28 |
| Complexity | 1108.2734 |
Chemical Identifiers
| CAS Number | 488108-74-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)CN2C(=C(SC2=O)/C=N/NC(=O)C3=CC=NC=C3)Cl |
Product Overview
AB00686081-01 (CAS 488108-74-3), with molecular formula C18H13ClN4O4S and molecular weight 416.03 g/mol. IUPAC: 3-[[4-chloro-2-oxo-5-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]-1,3-thiazol-3-yl]methyl]benzoic acid.
Chemical Property Profile of AB00686081-01
Property Insights of AB00686081-01
The XLogP value of 2.4686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00686081-01. The TPSA of 113.65 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686081-01. Following Lipinski's Rule of Five, AB00686081-01 has 2 hydrogen bond donor(s) and 6 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 AB00686081-01?
The CAS number of AB00686081-01 is 488108-74-3.
What is the molecular formula of AB00686081-01?
The molecular formula of AB00686081-01 is C18H13ClN4O4S.
What is the molecular weight of AB00686081-01?
The molecular weight of AB00686081-01 is 416.03 g/mol.
Where can I buy AB00686081-01?
You can request a quote for AB00686081-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686081-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686081-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.