AN-989/40768675
TL;DR: AN-989/40768675 (CAS 429634-00-4) is a chemical compound with molecular formula C20H19N3O6S and molecular weight 429.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-(4-ethoxyphenyl)-2-sulfanylideneimidazolidin-4-one
Also Known As: AN-989/40768675, AB00111016-01, 5-{3-ethoxy-2-hydroxy-5-nitrobenzylidene}-3-(4-ethoxyphenyl)-2-thioxo-4-imidazolidinone, (5Z)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-(4-ethoxyphenyl)-2-sulfanylideneimidazolidin-4-one, (5Z)-5-(3-ethoxy-2-hydroxy-5-nitrobenzylidene)-3-(4-ethoxyphenyl)-2-thioxoimidazolidin-4-one
| Molecular Formula | C20H19N3O6S |
|---|---|
| Molecular Weight | 429.10 g/mol |
| LogP | 3.36 |
| Topological Polar Surface Area | 114.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.09946 |
| Heavy Atoms | 30 |
| Complexity | 1035.5825 |
Chemical Identifiers
| CAS Number | 429634-00-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=C(C(=CC(=C3)[N+](=O)[O-])OCC)O)/NC2=S |
Product Overview
AN-989/40768675 (CAS 429634-00-4), with molecular formula C20H19N3O6S and molecular weight 429.10 g/mol. IUPAC: (5Z)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-(4-ethoxyphenyl)-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of AN-989/40768675
Property Insights of AN-989/40768675
The XLogP value of 3.36 indicates that AN-989/40768675 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.17 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/40768675. Following Lipinski's Rule of Five, AN-989/40768675 has 2 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-989/40768675?
The CAS number of AN-989/40768675 is 429634-00-4.
What is the molecular formula of AN-989/40768675?
The molecular formula of AN-989/40768675 is C20H19N3O6S.
What is the molecular weight of AN-989/40768675?
The molecular weight of AN-989/40768675 is 429.10 g/mol.
Where can I buy AN-989/40768675?
You can request a quote for AN-989/40768675 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40768675?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40768675 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.