2-chloro-1-methyl-1H-indole-3-carbonitrile
TL;DR: 2-chloro-1-methyl-1H-indole-3-carbonitrile (CAS 159506-88-4) is a chemical compound with molecular formula C10H7ClN2 and molecular weight 190.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-methylindole-3-carbonitrile
Also Known As: 2-chloro-1-methyl-1H-indole-3-carbonitrile, 2-chloro-1-methylindole-3-carbonitrile, 2P-321S, 1H-Indole-3-carbonitrile, 2-chloro-1-methyl-, 2-chloro-1-methyl-indole-3-carbonitrile
| Molecular Formula | C10H7ClN2 |
|---|---|
| Molecular Weight | 190.03 g/mol |
| LogP | 2.70338 |
| Topological Polar Surface Area | 28.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.02977 |
| Heavy Atoms | 13 |
| Complexity | 505.3545 |
Chemical Identifiers
| CAS Number | 159506-88-4 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C1Cl)C#N |
Product Overview
2-chloro-1-methyl-1H-indole-3-carbonitrile (CAS 159506-88-4), with molecular formula C10H7ClN2 and molecular weight 190.03 g/mol. IUPAC: 2-chloro-1-methylindole-3-carbonitrile.
Chemical Property Profile of 2-chloro-1-methyl-1H-indole-3-carbonitrile
Property Insights of 2-chloro-1-methyl-1H-indole-3-carbonitrile
The XLogP value of 2.70338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-1-methyl-1H-indole-3-carbonitrile. With a topological polar surface area (TPSA) of 28.72 Ų, 2-chloro-1-methyl-1H-indole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-1-methyl-1H-indole-3-carbonitrile 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 2-chloro-1-methyl-1H-indole-3-carbonitrile?
The CAS number of 2-chloro-1-methyl-1H-indole-3-carbonitrile is 159506-88-4.
What is the molecular formula of 2-chloro-1-methyl-1H-indole-3-carbonitrile?
The molecular formula of 2-chloro-1-methyl-1H-indole-3-carbonitrile is C10H7ClN2.
What is the molecular weight of 2-chloro-1-methyl-1H-indole-3-carbonitrile?
The molecular weight of 2-chloro-1-methyl-1H-indole-3-carbonitrile is 190.03 g/mol.
Where can I buy 2-chloro-1-methyl-1H-indole-3-carbonitrile?
You can request a quote for 2-chloro-1-methyl-1H-indole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-1-methyl-1H-indole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-1-methyl-1H-indole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.