AN-988/40680285
TL;DR: AN-988/40680285 (CAS 428834-30-4) is a chemical compound with molecular formula C18H13BrFNO3S and molecular weight 420.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(5-bromo-2-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
Also Known As: AN-988/40680285, (5Z)-5-[(5-bromo-2-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione, 5-(5-bromo-2-methoxybenzylidene)-3-(4-fluorobenzyl)-1,3-thiazolidine-2,4-dione, (5Z)-5-(5-bromo-2-methoxybenzylidene)-3-(4-fluorobenzyl)-1,3-thiazolidine-2,4-dione
| Molecular Formula | C18H13BrFNO3S |
|---|---|
| Molecular Weight | 420.98 g/mol |
| LogP | 4.8333 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.97836 |
| Heavy Atoms | 25 |
| Complexity | 867.12494 |
Chemical Identifiers
| CAS Number | 428834-30-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F |
Product Overview
AN-988/40680285 (CAS 428834-30-4), with molecular formula C18H13BrFNO3S and molecular weight 420.98 g/mol. IUPAC: (5Z)-5-[(5-bromo-2-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AN-988/40680285
Property Insights of AN-988/40680285
The XLogP value of 4.8333 indicates that AN-988/40680285 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, AN-988/40680285 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-988/40680285 has 0 hydrogen bond donor(s) and 4 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-988/40680285?
The CAS number of AN-988/40680285 is 428834-30-4.
What is the molecular formula of AN-988/40680285?
The molecular formula of AN-988/40680285 is C18H13BrFNO3S.
What is the molecular weight of AN-988/40680285?
The molecular weight of AN-988/40680285 is 420.98 g/mol.
Where can I buy AN-988/40680285?
You can request a quote for AN-988/40680285 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/40680285?
Yes, KEHONG BIO provides custom synthesis services for AN-988/40680285 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.