Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylmethyl)-
TL;DR: Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylmethyl)- (CAS 101831-76-9) is a chemical compound with molecular formula C16H19N3 and molecular weight 253.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-ylmethyl)-1H-indole-5-carbonitrile
Also Known As: 3-(azepan-1-ylmethyl)-1H-indole-5-carbonitrile, 5-Cyano-3-(hexamethyleneiminomethyl)indole, 3-(Hexahydro-1H-azepinylmethyl)-5-indolecarbonitrile, 3-[(azepan-1-yl)methyl]-1H-indole-5-carbonitrile, INDOLE-5-CARBONITRILE, 3-(HEXAHYDRO-1H-AZEPINYLMETHYL)-
| Molecular Formula | C16H19N3 |
|---|---|
| Molecular Weight | 253.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.1579 |
| Heavy Atoms | 19 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 101831-76-9 |
|---|---|
| SMILES | C1CCCN(CC1)CC2=CNC3=C2C=C(C=C3)C#N |
| InChIKey | UKLWZZWLUVCPDA-UHFFFAOYSA-N |
Product Overview
Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylmethyl)- (CAS 101831-76-9), with molecular formula C16H19N3 and molecular weight 253.16 g/mol. IUPAC: 3-(azepan-1-ylmethyl)-1H-indole-5-carbonitrile.
Chemical Property Profile of Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylmethyl)-
Property Insights of Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylmethyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylmethyl)-. With a topological polar surface area (TPSA) of 42.8 Ų, Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylmethyl)- has 1 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-(hexahydro-1H-azepinylmethyl)-?
The CAS number of Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylmethyl)- is 101831-76-9.
What is the molecular formula of Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylmethyl)-?
The molecular formula of Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylmethyl)- is C16H19N3.
What is the molecular weight of Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylmethyl)-?
The molecular weight of Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylmethyl)- is 253.16 g/mol.
Where can I buy Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylmethyl)-?
You can request a quote for Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylmethyl)- 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-(hexahydro-1H-azepinylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.