AO-567/40694448
TL;DR: AO-567/40694448 (CAS 497057-76-8) is a chemical compound with molecular formula C19H15Cl2N3O4S and molecular weight 451.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(3,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: AO-567/40694448, 4-[({(2Z)-2-[(3,5-dichlorophenyl)imino]-3-methyl-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid, (Z)-4-(2-((3,5-dichlorophenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid, 4-[({2-[(3,5-dichlorophenyl)imino]-3-methyl-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid, 4-[[2-(3,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
| Molecular Formula | C19H15Cl2N3O4S |
|---|---|
| Molecular Weight | 451.02 g/mol |
| LogP | 4.2817 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.01602 |
| Heavy Atoms | 29 |
| Complexity | 990.76385 |
Chemical Identifiers
| CAS Number | 497057-76-8 |
|---|---|
| SMILES | CN1C(=O)CC(SC1=NC2=CC(=CC(=C2)Cl)Cl)C(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
AO-567/40694448 (CAS 497057-76-8), with molecular formula C19H15Cl2N3O4S and molecular weight 451.02 g/mol. IUPAC: 4-[[2-(3,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of AO-567/40694448
Property Insights of AO-567/40694448
The XLogP value of 4.2817 indicates that AO-567/40694448 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-567/40694448. Following Lipinski's Rule of Five, AO-567/40694448 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 AO-567/40694448?
The CAS number of AO-567/40694448 is 497057-76-8.
What is the molecular formula of AO-567/40694448?
The molecular formula of AO-567/40694448 is C19H15Cl2N3O4S.
What is the molecular weight of AO-567/40694448?
The molecular weight of AO-567/40694448 is 451.02 g/mol.
Where can I buy AO-567/40694448?
You can request a quote for AO-567/40694448 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-567/40694448?
Yes, KEHONG BIO provides custom synthesis services for AO-567/40694448 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.