AN-989/41697054
TL;DR: AN-989/41697054 (CAS 577761-72-9) is a chemical compound with molecular formula C20H16FN3O3S and molecular weight 397.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
Also Known As: AN-989/41697054, 5-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylene]-3-(4-fluorobenzyl)-1,3-thiazolidine-2,4-dione, (5E)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione, (5E)-5-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-3-(4-fluorobenzyl)-1,3-thiazolidine-2,4-dione, (E)-5-((1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)methylene)-3-(4-fluorobenzyl)thiazolidine-2,4-dione
| Molecular Formula | C20H16FN3O3S |
|---|---|
| Molecular Weight | 397.09 g/mol |
| LogP | 3.2526 |
| Topological Polar Surface Area | 64.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.08963 |
| Heavy Atoms | 28 |
| Complexity | 1207.8993 |
Chemical Identifiers
| CAS Number | 577761-72-9 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)/C=C/3\C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F)N(C1=O)C |
Product Overview
AN-989/41697054 (CAS 577761-72-9), with molecular formula C20H16FN3O3S and molecular weight 397.09 g/mol. IUPAC: (5E)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AN-989/41697054
Property Insights of AN-989/41697054
The XLogP value of 3.2526 indicates that AN-989/41697054 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/41697054. Following Lipinski's Rule of Five, AN-989/41697054 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-989/41697054?
The CAS number of AN-989/41697054 is 577761-72-9.
What is the molecular formula of AN-989/41697054?
The molecular formula of AN-989/41697054 is C20H16FN3O3S.
What is the molecular weight of AN-989/41697054?
The molecular weight of AN-989/41697054 is 397.09 g/mol.
Where can I buy AN-989/41697054?
You can request a quote for AN-989/41697054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/41697054?
Yes, KEHONG BIO provides custom synthesis services for AN-989/41697054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.