AN-698/40704321
TL;DR: AN-698/40704321 (CAS 431915-14-9) is a chemical compound with molecular formula C23H21N3O2S and molecular weight 403.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(4-methoxyphenyl)-5-[(2-methyl-1-prop-2-enylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
Also Known As: AN-698/40704321, 5-[(1-allyl-2-methyl-1H-indol-3-yl)methylene]-3-(4-methoxyphenyl)-2-thioxo-4-imidazolidinone, (5Z)-3-(4-methoxyphenyl)-5-[(2-methyl-1-prop-2-enylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
| Molecular Formula | C23H21N3O2S |
|---|---|
| Molecular Weight | 403.14 g/mol |
| LogP | 4.40652 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.13544 |
| Heavy Atoms | 29 |
| Complexity | 1158.8297 |
Chemical Identifiers
| CAS Number | 431915-14-9 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1CC=C)/C=C\3/C(=O)N(C(=S)N3)C4=CC=C(C=C4)OC |
Product Overview
AN-698/40704321 (CAS 431915-14-9), with molecular formula C23H21N3O2S and molecular weight 403.14 g/mol. IUPAC: (5Z)-3-(4-methoxyphenyl)-5-[(2-methyl-1-prop-2-enylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of AN-698/40704321
Property Insights of AN-698/40704321
The XLogP value of 4.40652 indicates that AN-698/40704321 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, AN-698/40704321 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-698/40704321 has 1 hydrogen bond donor(s) and 3 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-698/40704321?
The CAS number of AN-698/40704321 is 431915-14-9.
What is the molecular formula of AN-698/40704321?
The molecular formula of AN-698/40704321 is C23H21N3O2S.
What is the molecular weight of AN-698/40704321?
The molecular weight of AN-698/40704321 is 403.14 g/mol.
Where can I buy AN-698/40704321?
You can request a quote for AN-698/40704321 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/40704321?
Yes, KEHONG BIO provides custom synthesis services for AN-698/40704321 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.