匹罗庚嗪
TL;DR: 匹罗庚嗪 (CAS 16378-21-5) is a chemical compound with molecular formula C22H25N and molecular weight 303.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
匹罗庚嗪
1-ethyl-2-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)pyrrolidine
Also Known As: Piroheptine, Piroheptina, Piroheptinum, Trimol, Piroheptine [INN]
| Molecular Formula | C22H25N |
|---|---|
| Molecular Weight | 303.20 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 303.1987 |
| Heavy Atoms | 23 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 16378-21-5 |
|---|---|
| SMILES | CCN1CCC(=C2C3=CC=CC=C3CCC4=CC=CC=C42)C1C |
| InChIKey | NKJQZSDCCLDOQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
匹罗庚嗪 (CAS 16378-21-5), with molecular formula C22H25N and molecular weight 303.20 g/mol. IUPAC: 1-ethyl-2-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)pyrrolidine.
Chemical Property Profile of 匹罗庚嗪
Property Insights of 匹罗庚嗪
The XLogP value of 4.4 indicates that 匹罗庚嗪 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 匹罗庚嗪 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 匹罗庚嗪 has 0 hydrogen bond donor(s) and 1 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 匹罗庚嗪?
The CAS number of 匹罗庚嗪 is 16378-21-5.
What is the molecular formula of 匹罗庚嗪?
The molecular formula of 匹罗庚嗪 is C22H25N.
What is the molecular weight of 匹罗庚嗪?
The molecular weight of 匹罗庚嗪 is 303.20 g/mol.
Where can I buy 匹罗庚嗪?
You can request a quote for 匹罗庚嗪 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 匹罗庚嗪?
Yes, KEHONG BIO provides custom synthesis services for 匹罗庚嗪 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.