AN-989/40683738
TL;DR: AN-989/40683738 (CAS 443875-78-3) is a chemical compound with molecular formula C21H21N3O5S and molecular weight 427.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-2-(4-ethoxyphenyl)imino-5-[(4-hydroxy-3-nitrophenyl)methylidene]-3-propyl-1,3-thiazolidin-4-one
Also Known As: AN-989/40683738, 2-[(4-ethoxyphenyl)imino]-5-{4-hydroxy-3-nitrobenzylidene}-3-propyl-1,3-thiazolidin-4-one, (5Z)-2-(4-ethoxyphenyl)imino-5-[(4-hydroxy-3-nitrophenyl)methylidene]-3-propyl-1,3-thiazolidin-4-one, (2E,5Z)-2-[(4-ethoxyphenyl)imino]-5-(4-hydroxy-3-nitrobenzylidene)-3-propyl-1,3-thiazolidin-4-one
| Molecular Formula | C21H21N3O5S |
|---|---|
| Molecular Weight | 427.12 g/mol |
| LogP | 4.7131 |
| Topological Polar Surface Area | 105.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.12018 |
| Heavy Atoms | 30 |
| Complexity | 1017.80194 |
Chemical Identifiers
| CAS Number | 443875-78-3 |
|---|---|
| SMILES | CCCN1C(=O)/C(=C/C2=CC(=C(C=C2)O)[N+](=O)[O-])/SC1=NC3=CC=C(C=C3)OCC |
Product Overview
AN-989/40683738 (CAS 443875-78-3), with molecular formula C21H21N3O5S and molecular weight 427.12 g/mol. IUPAC: (5Z)-2-(4-ethoxyphenyl)imino-5-[(4-hydroxy-3-nitrophenyl)methylidene]-3-propyl-1,3-thiazolidin-4-one.
Chemical Property Profile of AN-989/40683738
Property Insights of AN-989/40683738
The XLogP value of 4.7131 indicates that AN-989/40683738 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.27 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/40683738. Following Lipinski's Rule of Five, AN-989/40683738 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-989/40683738?
The CAS number of AN-989/40683738 is 443875-78-3.
What is the molecular formula of AN-989/40683738?
The molecular formula of AN-989/40683738 is C21H21N3O5S.
What is the molecular weight of AN-989/40683738?
The molecular weight of AN-989/40683738 is 427.12 g/mol.
Where can I buy AN-989/40683738?
You can request a quote for AN-989/40683738 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40683738?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40683738 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.