吡咯烷-1-丙腈
TL;DR: 吡咯烷-1-丙腈 (CAS 26165-45-7) is a chemical compound with molecular formula C7H12N2 and molecular weight 124.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吡咯烷-1-丙腈
3-pyrrolidin-1-ylpropanenitrile
Also Known As: 1-Pyrrolidinepropanenitrile, 1-Pyrrolidinepropionitrile, 3-(1-Pyrrolidino)propionitrile, 3-(pyrrolidin-1-yl)propanenitrile, 3-pyrrolidin-1-ylpropanenitrile
| Molecular Formula | C7H12N2 |
|---|---|
| Molecular Weight | 124.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 124.10005 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 26165-45-7 |
|---|---|
| SMILES | C1CCN(C1)CCC#N |
| InChIKey | PDVYZQGNSCSKPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吡咯烷-1-丙腈 (CAS 26165-45-7), with molecular formula C7H12N2 and molecular weight 124.10 g/mol. IUPAC: 3-pyrrolidin-1-ylpropanenitrile.
Chemical Property Profile of 吡咯烷-1-丙腈
Property Insights of 吡咯烷-1-丙腈
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吡咯烷-1-丙腈. With a topological polar surface area (TPSA) of 27.0 Ų, 吡咯烷-1-丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吡咯烷-1-丙腈 has 0 hydrogen bond donor(s) and 2 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 吡咯烷-1-丙腈?
The CAS number of 吡咯烷-1-丙腈 is 26165-45-7.
What is the molecular formula of 吡咯烷-1-丙腈?
The molecular formula of 吡咯烷-1-丙腈 is C7H12N2.
What is the molecular weight of 吡咯烷-1-丙腈?
The molecular weight of 吡咯烷-1-丙腈 is 124.10 g/mol.
Where can I buy 吡咯烷-1-丙腈?
You can request a quote for 吡咯烷-1-丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吡咯烷-1-丙腈?
Yes, KEHONG BIO provides custom synthesis services for 吡咯烷-1-丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.