1H-Indole-5-carbonitrile, 3-((hexahydro-1(2H)-azocinyl)methyl)-
TL;DR: 1H-Indole-5-carbonitrile, 3-((hexahydro-1(2H)-azocinyl)methyl)- (CAS 101831-77-0) is a chemical compound with molecular formula C17H21N3 and molecular weight 267.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azocan-1-ylmethyl)-1H-indole-5-carbonitrile
Also Known As: 5-Cyano-3-(heptamethyleneiminomethyl)indole, INDOLE-5-CARBONITRILE, 3-(HEXAHYDRO-1(2H)-AZOCINYLMETHYL)-, 3-(Hexahydro-1(2H)-azocinylmethyl)-5-indolecarbonitrile, 3-(azocan-1-ylmethyl)-1H-indole-5-carbonitrile, 3-[(Azocan-1-yl)methyl]-1H-indole-5-carbonitrile
| Molecular Formula | C17H21N3 |
|---|---|
| Molecular Weight | 267.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.17355 |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 101831-77-0 |
|---|---|
| SMILES | C1CCCN(CCC1)CC2=CNC3=C2C=C(C=C3)C#N |
| InChIKey | WUUZKFSRXVUYOB-UHFFFAOYSA-N |
Product Overview
1H-Indole-5-carbonitrile, 3-((hexahydro-1(2H)-azocinyl)methyl)- (CAS 101831-77-0), with molecular formula C17H21N3 and molecular weight 267.17 g/mol. IUPAC: 3-(azocan-1-ylmethyl)-1H-indole-5-carbonitrile.
Chemical Property Profile of 1H-Indole-5-carbonitrile, 3-((hexahydro-1(2H)-azocinyl)methyl)-
Property Insights of 1H-Indole-5-carbonitrile, 3-((hexahydro-1(2H)-azocinyl)methyl)-
The XLogP value of 3.3 indicates that 1H-Indole-5-carbonitrile, 3-((hexahydro-1(2H)-azocinyl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.8 Ų, 1H-Indole-5-carbonitrile, 3-((hexahydro-1(2H)-azocinyl)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-5-carbonitrile, 3-((hexahydro-1(2H)-azocinyl)methyl)- 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 1H-Indole-5-carbonitrile, 3-((hexahydro-1(2H)-azocinyl)methyl)-?
The CAS number of 1H-Indole-5-carbonitrile, 3-((hexahydro-1(2H)-azocinyl)methyl)- is 101831-77-0.
What is the molecular formula of 1H-Indole-5-carbonitrile, 3-((hexahydro-1(2H)-azocinyl)methyl)-?
The molecular formula of 1H-Indole-5-carbonitrile, 3-((hexahydro-1(2H)-azocinyl)methyl)- is C17H21N3.
What is the molecular weight of 1H-Indole-5-carbonitrile, 3-((hexahydro-1(2H)-azocinyl)methyl)-?
The molecular weight of 1H-Indole-5-carbonitrile, 3-((hexahydro-1(2H)-azocinyl)methyl)- is 267.17 g/mol.
Where can I buy 1H-Indole-5-carbonitrile, 3-((hexahydro-1(2H)-azocinyl)methyl)-?
You can request a quote for 1H-Indole-5-carbonitrile, 3-((hexahydro-1(2H)-azocinyl)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-5-carbonitrile, 3-((hexahydro-1(2H)-azocinyl)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-5-carbonitrile, 3-((hexahydro-1(2H)-azocinyl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.