AN-989/40662736
TL;DR: AN-989/40662736 (CAS 428829-62-3) is a chemical compound with molecular formula C25H18ClNO6S and molecular weight 495.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid
Also Known As: AN-989/40662736, 4-[(4-{[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid, 4-[[4-[(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid, (Z)-4-((4-((3-(4-chlorophenyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-2-methoxyphenoxy)methyl)benzoic acid, 4-[(4-{(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
| Molecular Formula | C25H18ClNO6S |
|---|---|
| Molecular Weight | 495.05 g/mol |
| LogP | 5.8667 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.05432 |
| Heavy Atoms | 34 |
| Complexity | 1287.763 |
Chemical Identifiers
| CAS Number | 428829-62-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)C3=CC=C(C=C3)Cl)OCC4=CC=C(C=C4)C(=O)O |
Product Overview
AN-989/40662736 (CAS 428829-62-3), with molecular formula C25H18ClNO6S and molecular weight 495.05 g/mol. IUPAC: 4-[[4-[(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid.
Chemical Property Profile of AN-989/40662736
Property Insights of AN-989/40662736
The XLogP value of 5.8667 indicates that AN-989/40662736 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/40662736. Following Lipinski's Rule of Five, AN-989/40662736 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-989/40662736?
The CAS number of AN-989/40662736 is 428829-62-3.
What is the molecular formula of AN-989/40662736?
The molecular formula of AN-989/40662736 is C25H18ClNO6S.
What is the molecular weight of AN-989/40662736?
The molecular weight of AN-989/40662736 is 495.05 g/mol.
Where can I buy AN-989/40662736?
You can request a quote for AN-989/40662736 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40662736?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40662736 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.