3-(2-Chloro-7-methylquinolin-3-yl)propanenitrile
TL;DR: 3-(2-Chloro-7-methylquinolin-3-yl)propanenitrile (CAS 727686-14-8) is a chemical compound with molecular formula C13H11ClN2 and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-7-methylquinolin-3-yl)propanenitrile
Also Known As: 3-(2-chloro-7-methylquinolin-3-yl)propanenitrile, VU0507974-1, 3-(2-chloro-7-methyl-3-quinolyl)propanenitrile, 3-(2-chloro-7-methyl-3-quinolyl)propiononitrile, Propionitrile, 3-(2-chloro-7-methylquinolin-3-yl)-
| Molecular Formula | C13H11ClN2 |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 3.6528 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.06108 |
| Heavy Atoms | 16 |
| Complexity | 569.8897 |
Chemical Identifiers
| CAS Number | 727686-14-8 |
|---|---|
| SMILES | CC1=CC2=NC(=C(C=C2C=C1)CCC#N)Cl |
Product Overview
3-(2-Chloro-7-methylquinolin-3-yl)propanenitrile (CAS 727686-14-8), with molecular formula C13H11ClN2 and molecular weight 230.06 g/mol. IUPAC: 3-(2-chloro-7-methylquinolin-3-yl)propanenitrile.
Chemical Property Profile of 3-(2-Chloro-7-methylquinolin-3-yl)propanenitrile
Property Insights of 3-(2-Chloro-7-methylquinolin-3-yl)propanenitrile
The XLogP value of 3.6528 indicates that 3-(2-Chloro-7-methylquinolin-3-yl)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 3-(2-Chloro-7-methylquinolin-3-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Chloro-7-methylquinolin-3-yl)propanenitrile 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 3-(2-Chloro-7-methylquinolin-3-yl)propanenitrile?
The CAS number of 3-(2-Chloro-7-methylquinolin-3-yl)propanenitrile is 727686-14-8.
What is the molecular formula of 3-(2-Chloro-7-methylquinolin-3-yl)propanenitrile?
The molecular formula of 3-(2-Chloro-7-methylquinolin-3-yl)propanenitrile is C13H11ClN2.
What is the molecular weight of 3-(2-Chloro-7-methylquinolin-3-yl)propanenitrile?
The molecular weight of 3-(2-Chloro-7-methylquinolin-3-yl)propanenitrile is 230.06 g/mol.
Where can I buy 3-(2-Chloro-7-methylquinolin-3-yl)propanenitrile?
You can request a quote for 3-(2-Chloro-7-methylquinolin-3-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Chloro-7-methylquinolin-3-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chloro-7-methylquinolin-3-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.