AN-329/42613058
TL;DR: AN-329/42613058 (CAS 791793-28-7) is a chemical compound with molecular formula C23H22ClN3O2S2 and molecular weight 471.0842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
Also Known As: AN-329/42613058, 3-chloro-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide, 3-chloro-N-{[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl}-1-benzothiophene-2-carboxamide, 3-chloro-N-[({2-[(cyclohexylamino)carbonyl]phenyl}amino)carbonothioyl]-1-benzothiophene-2-carboxamide, 2-[({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbothioyl)amino]-N-cyclohexylbenzamide
Technical Specifications
| Molecular Formula | C23H22ClN3O2S2 |
| Molecular Weight | 471.0842 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.0842 Da |
| Heavy Atoms | 31 |
| Complexity | 673.0 |
| SMILES | C1CCC(CC1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl |
| InChIKey | HHJWXKPVNLQHND-UHFFFAOYSA-N |
Chemical Property Profile of AN-329/42613058
Property Insights of AN-329/42613058
The XLogP value of 6.6 indicates that AN-329/42613058 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/42613058. Following Lipinski's Rule of Five, AN-329/42613058 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of AN-329/42613058?
The CAS number of AN-329/42613058 is 791793-28-7.
What is the molecular formula of AN-329/42613058?
The molecular formula of AN-329/42613058 is C23H22ClN3O2S2.
What is the molecular weight of AN-329/42613058?
The molecular weight of AN-329/42613058 is 471.0842 g/mol.
Where can I buy AN-329/42613058?
You can request a quote for AN-329/42613058 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AN-329/42613058?
Yes, CoreyChem provides custom synthesis services for AN-329/42613058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.