2-(Bromomethyl)-1-methylindole-3-carbonitrile
TL;DR: 2-(Bromomethyl)-1-methylindole-3-carbonitrile (CAS 328045-73-4) is a chemical compound with molecular formula C11H9BrN2 and molecular weight 247.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(bromomethyl)-1-methylindole-3-carbonitrile
Also Known As: 2-(bromomethyl)-1-methylindole-3-carbonitrile, 2-(bromomethyl)-1-methyl-1H-indole-3-carbonitrile
| Molecular Formula | C11H9BrN2 |
|---|---|
| Molecular Weight | 247.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.9949 |
| Heavy Atoms | 14 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 328045-73-4 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C1CBr)C#N |
| InChIKey | LRXPOGOLGOMRBO-UHFFFAOYSA-N |
Product Overview
2-(Bromomethyl)-1-methylindole-3-carbonitrile (CAS 328045-73-4), with molecular formula C11H9BrN2 and molecular weight 247.99 g/mol. IUPAC: 2-(bromomethyl)-1-methylindole-3-carbonitrile.
Chemical Property Profile of 2-(Bromomethyl)-1-methylindole-3-carbonitrile
Property Insights of 2-(Bromomethyl)-1-methylindole-3-carbonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Bromomethyl)-1-methylindole-3-carbonitrile. With a topological polar surface area (TPSA) of 28.7 Ų, 2-(Bromomethyl)-1-methylindole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Bromomethyl)-1-methylindole-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-(Bromomethyl)-1-methylindole-3-carbonitrile?
The CAS number of 2-(Bromomethyl)-1-methylindole-3-carbonitrile is 328045-73-4.
What is the molecular formula of 2-(Bromomethyl)-1-methylindole-3-carbonitrile?
The molecular formula of 2-(Bromomethyl)-1-methylindole-3-carbonitrile is C11H9BrN2.
What is the molecular weight of 2-(Bromomethyl)-1-methylindole-3-carbonitrile?
The molecular weight of 2-(Bromomethyl)-1-methylindole-3-carbonitrile is 247.99 g/mol.
Where can I buy 2-(Bromomethyl)-1-methylindole-3-carbonitrile?
You can request a quote for 2-(Bromomethyl)-1-methylindole-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-(Bromomethyl)-1-methylindole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Bromomethyl)-1-methylindole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.