Indole-5-carbonitrile, 3-(2-aminoethyl)-, hydrochloride
TL;DR: Indole-5-carbonitrile, 3-(2-aminoethyl)-, hydrochloride (CAS 101831-71-4) is a chemical compound with molecular formula C11H12ClN3 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-aminoethyl)-1H-indole-5-carbonitrile;hydrochloride
Also Known As: 3-(2-aminoethyl)-1H-indole-5-carbonitrile hydrochloride, 5-Cyanotryptamine hydrochloride, 0483AA, 3-(2-Amino-ethyl)-1H-indole-5-carbonitrile hydrochloride, 5-CYANOTRYPTAMINEHYDROCHLORIDE
| Molecular Formula | C11H12ClN3 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 1.96 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.07198 |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 101831-71-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1C#N)C(=CN2)CCN.Cl |
| InChIKey | VKJFRESIRBDHEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Indole-5-carbonitrile, 3-(2-aminoethyl)-, hydrochloride (CAS 101831-71-4), with molecular formula C11H12ClN3 and molecular weight 221.07 g/mol. IUPAC: 3-(2-aminoethyl)-1H-indole-5-carbonitrile;hydrochloride.
Chemical Property Profile of Indole-5-carbonitrile, 3-(2-aminoethyl)-, hydrochloride
Property Insights of Indole-5-carbonitrile, 3-(2-aminoethyl)-, hydrochloride
The XLogP value of 1.96 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole-5-carbonitrile, 3-(2-aminoethyl)-, hydrochloride. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Indole-5-carbonitrile, 3-(2-aminoethyl)-, hydrochloride. Following Lipinski's Rule of Five, Indole-5-carbonitrile, 3-(2-aminoethyl)-, hydrochloride has 3 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 Indole-5-carbonitrile, 3-(2-aminoethyl)-, hydrochloride?
The CAS number of Indole-5-carbonitrile, 3-(2-aminoethyl)-, hydrochloride is 101831-71-4.
What is the molecular formula of Indole-5-carbonitrile, 3-(2-aminoethyl)-, hydrochloride?
The molecular formula of Indole-5-carbonitrile, 3-(2-aminoethyl)-, hydrochloride is C11H12ClN3.
What is the molecular weight of Indole-5-carbonitrile, 3-(2-aminoethyl)-, hydrochloride?
The molecular weight of Indole-5-carbonitrile, 3-(2-aminoethyl)-, hydrochloride is 221.07 g/mol.
Where can I buy Indole-5-carbonitrile, 3-(2-aminoethyl)-, hydrochloride?
You can request a quote for Indole-5-carbonitrile, 3-(2-aminoethyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole-5-carbonitrile, 3-(2-aminoethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Indole-5-carbonitrile, 3-(2-aminoethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.