AN-988/40680257
TL;DR: AN-988/40680257 (CAS 429623-18-7) is a chemical compound with molecular formula C18H13ClFNO4S and molecular weight 393.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
Also Known As: AN-988/40680257, (5Z)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione, 5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-3-(4-fluorobenzyl)-1,3-thiazolidine-2,4-dione, (5Z)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-3-(4-fluorobenzyl)-1,3-thiazolidine-2,4-dione
| Molecular Formula | C18H13ClFNO4S |
|---|---|
| Molecular Weight | 393.02 g/mol |
| LogP | 4.4298 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.02377 |
| Heavy Atoms | 26 |
| Complexity | 914.1523 |
Chemical Identifiers
| CAS Number | 429623-18-7 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)Cl)O |
Product Overview
AN-988/40680257 (CAS 429623-18-7), with molecular formula C18H13ClFNO4S and molecular weight 393.02 g/mol. IUPAC: (5Z)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AN-988/40680257
Property Insights of AN-988/40680257
The XLogP value of 4.4298 indicates that AN-988/40680257 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/40680257. Following Lipinski's Rule of Five, AN-988/40680257 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-988/40680257?
The CAS number of AN-988/40680257 is 429623-18-7.
What is the molecular formula of AN-988/40680257?
The molecular formula of AN-988/40680257 is C18H13ClFNO4S.
What is the molecular weight of AN-988/40680257?
The molecular weight of AN-988/40680257 is 393.02 g/mol.
Where can I buy AN-988/40680257?
You can request a quote for AN-988/40680257 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/40680257?
Yes, KEHONG BIO provides custom synthesis services for AN-988/40680257 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.