AN-989/40683613
TL;DR: AN-989/40683613 (CAS 428838-62-4) is a chemical compound with molecular formula C18H11BrClNO5S and molecular weight 466.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-bromo-2-[(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
Also Known As: AN-989/40683613, (4-bromo-2-{[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid, 2-[4-bromo-2-[(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid, (4-bromo-2-{(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid, (Z)-2-(4-bromo-2-((3-(4-chlorophenyl)-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid
| Molecular Formula | C18H11BrClNO5S |
|---|---|
| Molecular Weight | 466.92 g/mol |
| LogP | 4.8068 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.92297 |
| Heavy Atoms | 27 |
| Complexity | 960.72437 |
Chemical Identifiers
| CAS Number | 428838-62-4 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OCC(=O)O)/SC2=O)Cl |
Product Overview
AN-989/40683613 (CAS 428838-62-4), with molecular formula C18H11BrClNO5S and molecular weight 466.92 g/mol. IUPAC: 2-[4-bromo-2-[(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of AN-989/40683613
Property Insights of AN-989/40683613
The XLogP value of 4.8068 indicates that AN-989/40683613 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/40683613. Following Lipinski's Rule of Five, AN-989/40683613 has 1 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 AN-989/40683613?
The CAS number of AN-989/40683613 is 428838-62-4.
What is the molecular formula of AN-989/40683613?
The molecular formula of AN-989/40683613 is C18H11BrClNO5S.
What is the molecular weight of AN-989/40683613?
The molecular weight of AN-989/40683613 is 466.92 g/mol.
Where can I buy AN-989/40683613?
You can request a quote for AN-989/40683613 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40683613?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40683613 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.