ChemDiv3_005741
TL;DR: ChemDiv3_005741 (CAS 713096-79-8) is a chemical compound with molecular formula C21H27ClN2O3S and molecular weight 422.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
Also Known As: ChemDiv3_005741, IDI1_023651, 1-(3-chlorophenyl)-4-[2-methoxy-4-methyl-5-(propan-2-yl)benzenesulfonyl]piperazine, BRD-K38191654-001-01-5, F1406-0308
| Molecular Formula | C21H27ClN2O3S |
|---|---|
| Molecular Weight | 422.14 g/mol |
| LogP | 4.29132 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.1431 |
| Heavy Atoms | 28 |
| Complexity | 952.1182 |
Chemical Identifiers
| CAS Number | 713096-79-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C(C)C)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)OC |
Product Overview
ChemDiv3_005741 (CAS 713096-79-8), with molecular formula C21H27ClN2O3S and molecular weight 422.14 g/mol. IUPAC: 1-(3-chlorophenyl)-4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpiperazine.
Chemical Property Profile of ChemDiv3_005741
Property Insights of ChemDiv3_005741
The XLogP value of 4.29132 indicates that ChemDiv3_005741 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, ChemDiv3_005741 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_005741 has 0 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 ChemDiv3_005741?
The CAS number of ChemDiv3_005741 is 713096-79-8.
What is the molecular formula of ChemDiv3_005741?
The molecular formula of ChemDiv3_005741 is C21H27ClN2O3S.
What is the molecular weight of ChemDiv3_005741?
The molecular weight of ChemDiv3_005741 is 422.14 g/mol.
Where can I buy ChemDiv3_005741?
You can request a quote for ChemDiv3_005741 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005741?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005741 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.