AN-698/40780276
TL;DR: AN-698/40780276 (CAS 496766-70-2) is a chemical compound with molecular formula C21H21BrN2O4S and molecular weight 476.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
Also Known As: AN-698/40780276, 5-(5-bromo-3-ethoxy-2-hydroxybenzylidene)-3-(2-methoxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one, (5Z)-5-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
| Molecular Formula | C21H21BrN2O4S |
|---|---|
| Molecular Weight | 476.04 g/mol |
| LogP | 4.8038 |
| Topological Polar Surface Area | 71.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.04053 |
| Heavy Atoms | 29 |
| Complexity | 947.1973 |
Chemical Identifiers
| CAS Number | 496766-70-2 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1O)/C=C\2/C(=O)N(C(=NC3=CC=CC=C3)S2)CCOC)Br |
Product Overview
AN-698/40780276 (CAS 496766-70-2), with molecular formula C21H21BrN2O4S and molecular weight 476.04 g/mol. IUPAC: (5Z)-5-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one.
Chemical Property Profile of AN-698/40780276
Property Insights of AN-698/40780276
The XLogP value of 4.8038 indicates that AN-698/40780276 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.36 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/40780276. Following Lipinski's Rule of Five, AN-698/40780276 has 1 hydrogen bond donor(s) and 6 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-698/40780276?
The CAS number of AN-698/40780276 is 496766-70-2.
What is the molecular formula of AN-698/40780276?
The molecular formula of AN-698/40780276 is C21H21BrN2O4S.
What is the molecular weight of AN-698/40780276?
The molecular weight of AN-698/40780276 is 476.04 g/mol.
Where can I buy AN-698/40780276?
You can request a quote for AN-698/40780276 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/40780276?
Yes, KEHONG BIO provides custom synthesis services for AN-698/40780276 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.