3-(4-苯基哌嗪-1-基)丙腈
TL;DR: 3-(4-苯基哌嗪-1-基)丙腈 (CAS 21395-13-1) is a chemical compound with molecular formula C13H17N3 and molecular weight 215.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-苯基哌嗪-1-基)丙腈
3-(4-phenylpiperazin-1-yl)propanenitrile
Also Known As: 3-(4-phenylpiperazin-1-yl)propanenitrile, 1-Piperazinepropanenitrile,4-phenyl-, NCIOpen2_005257, 1-Piperazinepropanenitrile, 4-phenyl-, 3-(4-Phenylpiperazino)propanenitrile
| Molecular Formula | C13H17N3 |
|---|---|
| Molecular Weight | 215.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 30.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.14224 |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 21395-13-1 |
|---|---|
| SMILES | C1CN(CCN1CCC#N)C2=CC=CC=C2 |
| InChIKey | KTXUJUPSPCFJME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-苯基哌嗪-1-基)丙腈 (CAS 21395-13-1), with molecular formula C13H17N3 and molecular weight 215.14 g/mol. IUPAC: 3-(4-phenylpiperazin-1-yl)propanenitrile.
Chemical Property Profile of 3-(4-苯基哌嗪-1-基)丙腈
Property Insights of 3-(4-苯基哌嗪-1-基)丙腈
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-苯基哌嗪-1-基)丙腈. With a topological polar surface area (TPSA) of 30.3 Ų, 3-(4-苯基哌嗪-1-基)丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-苯基哌嗪-1-基)丙腈 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 3-(4-苯基哌嗪-1-基)丙腈?
The CAS number of 3-(4-苯基哌嗪-1-基)丙腈 is 21395-13-1.
What is the molecular formula of 3-(4-苯基哌嗪-1-基)丙腈?
The molecular formula of 3-(4-苯基哌嗪-1-基)丙腈 is C13H17N3.
What is the molecular weight of 3-(4-苯基哌嗪-1-基)丙腈?
The molecular weight of 3-(4-苯基哌嗪-1-基)丙腈 is 215.14 g/mol.
Where can I buy 3-(4-苯基哌嗪-1-基)丙腈?
You can request a quote for 3-(4-苯基哌嗪-1-基)丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-苯基哌嗪-1-基)丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-苯基哌嗪-1-基)丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.