4-(3,4-dimethylbenzenesulfonyl)-N,N-diphenylpiperazine-1-carboxamide
TL;DR: 4-(3,4-dimethylbenzenesulfonyl)-N,N-diphenylpiperazine-1-carboxamide (CAS 691388-13-3) is a chemical compound with molecular formula C25H27N3O3S and molecular weight 449.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dimethylphenyl)sulfonyl-N,N-diphenylpiperazine-1-carboxamide
Also Known As: 4-(3,4-dimethylbenzenesulfonyl)-N,N-diphenylpiperazine-1-carboxamide, AS-871/41972109, F1757-0078, 4-((3,4-dimethylphenyl)sulfonyl)-N,N-diphenylpiperazine-1-carboxamide, {4-[(3,4-dimethylphenyl)sulfonyl]piperazinyl}-N,N-dibenzamide
| Molecular Formula | C25H27N3O3S |
|---|---|
| Molecular Weight | 449.18 g/mol |
| LogP | 4.56804 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.1773 |
| Heavy Atoms | 32 |
| Complexity | 1150.1165 |
Chemical Identifiers
| CAS Number | 691388-13-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)C |
Product Overview
4-(3,4-dimethylbenzenesulfonyl)-N,N-diphenylpiperazine-1-carboxamide (CAS 691388-13-3), with molecular formula C25H27N3O3S and molecular weight 449.18 g/mol. IUPAC: 4-(3,4-dimethylphenyl)sulfonyl-N,N-diphenylpiperazine-1-carboxamide.
Chemical Property Profile of 4-(3,4-dimethylbenzenesulfonyl)-N,N-diphenylpiperazine-1-carboxamide
Property Insights of 4-(3,4-dimethylbenzenesulfonyl)-N,N-diphenylpiperazine-1-carboxamide
The XLogP value of 4.56804 indicates that 4-(3,4-dimethylbenzenesulfonyl)-N,N-diphenylpiperazine-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-dimethylbenzenesulfonyl)-N,N-diphenylpiperazine-1-carboxamide. Following Lipinski's Rule of Five, 4-(3,4-dimethylbenzenesulfonyl)-N,N-diphenylpiperazine-1-carboxamide has 0 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 4-(3,4-dimethylbenzenesulfonyl)-N,N-diphenylpiperazine-1-carboxamide?
The CAS number of 4-(3,4-dimethylbenzenesulfonyl)-N,N-diphenylpiperazine-1-carboxamide is 691388-13-3.
What is the molecular formula of 4-(3,4-dimethylbenzenesulfonyl)-N,N-diphenylpiperazine-1-carboxamide?
The molecular formula of 4-(3,4-dimethylbenzenesulfonyl)-N,N-diphenylpiperazine-1-carboxamide is C25H27N3O3S.
What is the molecular weight of 4-(3,4-dimethylbenzenesulfonyl)-N,N-diphenylpiperazine-1-carboxamide?
The molecular weight of 4-(3,4-dimethylbenzenesulfonyl)-N,N-diphenylpiperazine-1-carboxamide is 449.18 g/mol.
Where can I buy 4-(3,4-dimethylbenzenesulfonyl)-N,N-diphenylpiperazine-1-carboxamide?
You can request a quote for 4-(3,4-dimethylbenzenesulfonyl)-N,N-diphenylpiperazine-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-dimethylbenzenesulfonyl)-N,N-diphenylpiperazine-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-dimethylbenzenesulfonyl)-N,N-diphenylpiperazine-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.