PNU 101387;Sonepiprazole
TL;DR: PNU 101387;Sonepiprazole (CAS 170858-33-0) is a chemical compound with molecular formula C21H27N3O3S and molecular weight 401.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]benzenesulfonamide
Also Known As: Sonepiprazole, PNU 101387;Sonepiprazole, J1.645.207F, Sonepiprazole; Ritanserin; Benzenesulfonamide;, U 101387
| Molecular Formula | C21H27N3O3S |
|---|---|
| Molecular Weight | 401.18 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 84.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.1773 |
| Heavy Atoms | 28 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 170858-33-0 |
|---|---|
| SMILES | C1COC(C2=CC=CC=C21)CCN3CCN(CC3)C4=CC=C(C=C4)S(=O)(=O)N |
| InChIKey | WNUQCGWXPNGORO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
PNU 101387;Sonepiprazole (CAS 170858-33-0), with molecular formula C21H27N3O3S and molecular weight 401.18 g/mol. IUPAC: 4-[4-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]benzenesulfonamide.
Chemical Property Profile of PNU 101387;Sonepiprazole
Property Insights of PNU 101387;Sonepiprazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PNU 101387;Sonepiprazole. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for PNU 101387;Sonepiprazole. Following Lipinski's Rule of Five, PNU 101387;Sonepiprazole has 1 hydrogen bond donor(s) and 6 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 PNU 101387;Sonepiprazole?
The CAS number of PNU 101387;Sonepiprazole is 170858-33-0.
What is the molecular formula of PNU 101387;Sonepiprazole?
The molecular formula of PNU 101387;Sonepiprazole is C21H27N3O3S.
What is the molecular weight of PNU 101387;Sonepiprazole?
The molecular weight of PNU 101387;Sonepiprazole is 401.18 g/mol.
Where can I buy PNU 101387;Sonepiprazole?
You can request a quote for PNU 101387;Sonepiprazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PNU 101387;Sonepiprazole?
Yes, KEHONG BIO provides custom synthesis services for PNU 101387;Sonepiprazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.