AN-988/40680225
TL;DR: AN-988/40680225 (CAS 429622-05-9) is a chemical compound with molecular formula C18H13FN2O6S and molecular weight 404.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
Also Known As: AN-988/40680225, 3-(4-fluorobenzyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-1,3-thiazolidine-2,4-dione, 3-(4-fluorobenzyl)-5-{4-hydroxy-3-nitro-5-methoxybenzylidene}-1,3-thiazolidine-2,4-dione, (5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione, (5Z)-3-(4-fluorobenzyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-1,3-thiazolidine-2,4-dione
| Molecular Formula | C18H13FN2O6S |
|---|---|
| Molecular Weight | 404.05 g/mol |
| LogP | 3.6846 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.04782 |
| Heavy Atoms | 28 |
| Complexity | 1005.88055 |
Chemical Identifiers
| CAS Number | 429622-05-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F |
Product Overview
AN-988/40680225 (CAS 429622-05-9), with molecular formula C18H13FN2O6S and molecular weight 404.05 g/mol. IUPAC: (5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AN-988/40680225
Property Insights of AN-988/40680225
The XLogP value of 3.6846 indicates that AN-988/40680225 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/40680225. Following Lipinski's Rule of Five, AN-988/40680225 has 1 hydrogen bond donor(s) and 7 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-988/40680225?
The CAS number of AN-988/40680225 is 429622-05-9.
What is the molecular formula of AN-988/40680225?
The molecular formula of AN-988/40680225 is C18H13FN2O6S.
What is the molecular weight of AN-988/40680225?
The molecular weight of AN-988/40680225 is 404.05 g/mol.
Where can I buy AN-988/40680225?
You can request a quote for AN-988/40680225 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/40680225?
Yes, KEHONG BIO provides custom synthesis services for AN-988/40680225 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.