AN-329/42612981
TL;DR: AN-329/42612981 (CAS 791792-85-3) is a chemical compound with molecular formula C24H23N3O3S2 and molecular weight 465.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-methylphenyl)-N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide
Also Known As: AN-329/42612981, (E)-3-(4-methylphenyl)-N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide, N-methyl-4-[({[3-(4-methylphenyl)acryloyl]amino}carbothioyl)amino]-N-phenylbenzenesulfonamide, (2E)-3-(4-methylphenyl)-N-({4-[methyl(phenyl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide, 3-(4-methylphenyl)-N-{[(4-{[methyl(phenyl)amino]sulfonyl}phenyl)amino]carbonothioyl}acrylamide
| Molecular Formula | C24H23N3O3S2 |
|---|---|
| Molecular Weight | 465.12 g/mol |
| LogP | 4.34652 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.11807 |
| Heavy Atoms | 32 |
| Complexity | 1221.7457 |
Chemical Identifiers
| CAS Number | 791792-85-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3 |
Product Overview
AN-329/42612981 (CAS 791792-85-3), with molecular formula C24H23N3O3S2 and molecular weight 465.12 g/mol. IUPAC: (E)-3-(4-methylphenyl)-N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide.
Chemical Property Profile of AN-329/42612981
Property Insights of AN-329/42612981
The XLogP value of 4.34652 indicates that AN-329/42612981 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/42612981. Following Lipinski's Rule of Five, AN-329/42612981 has 2 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-329/42612981?
The CAS number of AN-329/42612981 is 791792-85-3.
What is the molecular formula of AN-329/42612981?
The molecular formula of AN-329/42612981 is C24H23N3O3S2.
What is the molecular weight of AN-329/42612981?
The molecular weight of AN-329/42612981 is 465.12 g/mol.
Where can I buy AN-329/42612981?
You can request a quote for AN-329/42612981 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/42612981?
Yes, KEHONG BIO provides custom synthesis services for AN-329/42612981 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.