AN-329/42667720
TL;DR: AN-329/42667720 (CAS 791794-68-8) is a chemical compound with molecular formula C22H22ClN3O3S2 and molecular weight 475.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[[4-[bis(prop-2-enyl)sulfamoyl]phenyl]carbamothioyl]-3-(2-chlorophenyl)prop-2-enamide
Also Known As: AN-329/42667720, (E)-N-[[4-[bis(prop-2-enyl)sulfamoyl]phenyl]carbamothioyl]-3-(2-chlorophenyl)prop-2-enamide, N,N-diallyl-4-[({[3-(2-chlorophenyl)acryloyl]amino}carbothioyl)amino]benzenesulfonamide, 3-(2-chlorophenyl)-N-[({4-[(diallylamino)sulfonyl]phenyl}amino)carbonothioyl]acrylamide, (2E)-3-(2-chlorophenyl)-N-{[4-(diprop-2-en-1-ylsulfamoyl)phenyl]carbamothioyl}prop-2-enamide
| Molecular Formula | C22H22ClN3O3S2 |
|---|---|
| Molecular Weight | 475.08 g/mol |
| LogP | 4.2291 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 475.0791 |
| Heavy Atoms | 31 |
| Complexity | 1087.2391 |
Chemical Identifiers
| CAS Number | 791794-68-8 |
|---|---|
| SMILES | C=CCN(CC=C)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2Cl |
Product Overview
AN-329/42667720 (CAS 791794-68-8), with molecular formula C22H22ClN3O3S2 and molecular weight 475.08 g/mol. IUPAC: (E)-N-[[4-[bis(prop-2-enyl)sulfamoyl]phenyl]carbamothioyl]-3-(2-chlorophenyl)prop-2-enamide.
Chemical Property Profile of AN-329/42667720
Property Insights of AN-329/42667720
The XLogP value of 4.2291 indicates that AN-329/42667720 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-329/42667720. Following Lipinski's Rule of Five, AN-329/42667720 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-329/42667720?
The CAS number of AN-329/42667720 is 791794-68-8.
What is the molecular formula of AN-329/42667720?
The molecular formula of AN-329/42667720 is C22H22ClN3O3S2.
What is the molecular weight of AN-329/42667720?
The molecular weight of AN-329/42667720 is 475.08 g/mol.
Where can I buy AN-329/42667720?
You can request a quote for AN-329/42667720 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/42667720?
Yes, KEHONG BIO provides custom synthesis services for AN-329/42667720 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.