AN-698/40704330
TL;DR: AN-698/40704330 (CAS 431075-27-3) is a chemical compound with molecular formula C23H20N2O3S and molecular weight 404.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
Also Known As: AN-698/40704330, (5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one, 5-[(2-ethoxy-1-naphthyl)methylene]-3-(4-methoxyphenyl)-2-thioxo-4-imidazolidinone, (5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-(4-methoxyphenyl)-2-thioxoimidazolidin-4-one
| Molecular Formula | C23H20N2O3S |
|---|---|
| Molecular Weight | 404.12 g/mol |
| LogP | 4.5093 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.11948 |
| Heavy Atoms | 29 |
| Complexity | 1122.676 |
Chemical Identifiers
| CAS Number | 431075-27-3 |
|---|---|
| SMILES | CCOC1=C(C2=CC=CC=C2C=C1)/C=C\3/C(=O)N(C(=S)N3)C4=CC=C(C=C4)OC |
Product Overview
AN-698/40704330 (CAS 431075-27-3), with molecular formula C23H20N2O3S and molecular weight 404.12 g/mol. IUPAC: (5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of AN-698/40704330
Property Insights of AN-698/40704330
The XLogP value of 4.5093 indicates that AN-698/40704330 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, AN-698/40704330 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-698/40704330 has 1 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-698/40704330?
The CAS number of AN-698/40704330 is 431075-27-3.
What is the molecular formula of AN-698/40704330?
The molecular formula of AN-698/40704330 is C23H20N2O3S.
What is the molecular weight of AN-698/40704330?
The molecular weight of AN-698/40704330 is 404.12 g/mol.
Where can I buy AN-698/40704330?
You can request a quote for AN-698/40704330 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/40704330?
Yes, KEHONG BIO provides custom synthesis services for AN-698/40704330 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.