AN-698/40704553
TL;DR: AN-698/40704553 (CAS 431069-08-8) is a chemical compound with molecular formula C22H25N3O3S and molecular weight 411.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
Also Known As: AN-698/40704553, 5-[4-(diethylamino)-2-methoxybenzylidene]-3-(4-methoxyphenyl)-2-thioxo-4-imidazolidinone, (5Z)-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one, (5Z)-5-[4-(diethylamino)-2-methoxybenzylidene]-3-(4-methoxyphenyl)-2-thioxoimidazolidin-4-one, (5Z)-5-{[4-(DIETHYLAMINO)-2-METHOXYPHENYL]METHYLIDENE}-3-(4-METHOXYPHENYL)-2-SULFANYLIDENEIMIDAZOLIDIN-4-ONE
| Molecular Formula | C22H25N3O3S |
|---|---|
| Molecular Weight | 411.16 g/mol |
| LogP | 3.8122 |
| Topological Polar Surface Area | 54.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.16165 |
| Heavy Atoms | 29 |
| Complexity | 936.8187 |
Chemical Identifiers
| CAS Number | 431069-08-8 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)C3=CC=C(C=C3)OC)OC |
Product Overview
AN-698/40704553 (CAS 431069-08-8), with molecular formula C22H25N3O3S and molecular weight 411.16 g/mol. IUPAC: (5Z)-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of AN-698/40704553
Property Insights of AN-698/40704553
The XLogP value of 3.8122 indicates that AN-698/40704553 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.04 Ų, AN-698/40704553 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-698/40704553 has 1 hydrogen bond donor(s) and 5 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-698/40704553?
The CAS number of AN-698/40704553 is 431069-08-8.
What is the molecular formula of AN-698/40704553?
The molecular formula of AN-698/40704553 is C22H25N3O3S.
What is the molecular weight of AN-698/40704553?
The molecular weight of AN-698/40704553 is 411.16 g/mol.
Where can I buy AN-698/40704553?
You can request a quote for AN-698/40704553 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/40704553?
Yes, KEHONG BIO provides custom synthesis services for AN-698/40704553 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.