Pivalopril
TL;DR: Pivalopril (CAS 81045-50-3) is a chemical compound with molecular formula C16H27NO4S and molecular weight 329.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[cyclopentyl-[3-(2,2-dimethylpropanoylsulfanyl)-2-methylpropanoyl]amino]acetic acid
Also Known As: Pivalopril, PIVOPRIL, Rhc 3659, Pivopril; RHC 3659(S), 2-[cyclopentyl-[3-(2,2-dimethylpropanoylsulfanyl)-2-methylpropanoyl]amino]acetic acid
| Molecular Formula | C16H27NO4S |
|---|---|
| Molecular Weight | 329.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 329.16608 |
| Heavy Atoms | 22 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 81045-50-3 |
|---|---|
| SMILES | CC(CSC(=O)C(C)(C)C)C(=O)N(CC(=O)O)C1CCCC1 |
| InChIKey | XRKXJJYSKUIIEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pivalopril (CAS 81045-50-3), with molecular formula C16H27NO4S and molecular weight 329.17 g/mol. IUPAC: 2-[cyclopentyl-[3-(2,2-dimethylpropanoylsulfanyl)-2-methylpropanoyl]amino]acetic acid.
Chemical Property Profile of Pivalopril
Property Insights of Pivalopril
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pivalopril. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pivalopril. Following Lipinski's Rule of Five, Pivalopril has 1 hydrogen bond donor(s) and 5 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 Pivalopril?
The CAS number of Pivalopril is 81045-50-3.
What is the molecular formula of Pivalopril?
The molecular formula of Pivalopril is C16H27NO4S.
What is the molecular weight of Pivalopril?
The molecular weight of Pivalopril is 329.17 g/mol.
Where can I buy Pivalopril?
You can request a quote for Pivalopril directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pivalopril?
Yes, KEHONG BIO provides custom synthesis services for Pivalopril and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.