2-(2-Chloroquinolin-3-yl)acetonitrile
TL;DR: 2-(2-Chloroquinolin-3-yl)acetonitrile (CAS 40041-79-0) is a chemical compound with molecular formula C11H7ClN2 and molecular weight 202.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloroquinolin-3-yl)acetonitrile
Also Known As: 2-(2-chloroquinolin-3-yl)acetonitrile, (2-chloroquinolin-3-yl)acetonitrile, 3-Quinolineacetonitrile, 2-chloro-, (2-Chloro-3-quinolinyl)acetonitrile, (2-Chloro-3-quinolinyl)acetonitrile #
| Molecular Formula | C11H7ClN2 |
|---|---|
| Molecular Weight | 202.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.02977 |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 40041-79-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=N2)Cl)CC#N |
| InChIKey | KEEDGMFXMMMZEY-UHFFFAOYSA-N |
Product Overview
2-(2-Chloroquinolin-3-yl)acetonitrile (CAS 40041-79-0), with molecular formula C11H7ClN2 and molecular weight 202.03 g/mol. IUPAC: 2-(2-chloroquinolin-3-yl)acetonitrile.
Chemical Property Profile of 2-(2-Chloroquinolin-3-yl)acetonitrile
Property Insights of 2-(2-Chloroquinolin-3-yl)acetonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Chloroquinolin-3-yl)acetonitrile. With a topological polar surface area (TPSA) of 36.7 Ų, 2-(2-Chloroquinolin-3-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chloroquinolin-3-yl)acetonitrile 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 2-(2-Chloroquinolin-3-yl)acetonitrile?
The CAS number of 2-(2-Chloroquinolin-3-yl)acetonitrile is 40041-79-0.
What is the molecular formula of 2-(2-Chloroquinolin-3-yl)acetonitrile?
The molecular formula of 2-(2-Chloroquinolin-3-yl)acetonitrile is C11H7ClN2.
What is the molecular weight of 2-(2-Chloroquinolin-3-yl)acetonitrile?
The molecular weight of 2-(2-Chloroquinolin-3-yl)acetonitrile is 202.03 g/mol.
Where can I buy 2-(2-Chloroquinolin-3-yl)acetonitrile?
You can request a quote for 2-(2-Chloroquinolin-3-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chloroquinolin-3-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chloroquinolin-3-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.