2-(azepan-1-yl)-2-(1H-indol-3-yl)acetonitrile
TL;DR: 2-(azepan-1-yl)-2-(1H-indol-3-yl)acetonitrile (CAS 304661-96-9) 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.
2-(azepan-1-yl)-2-(1H-indol-3-yl)acetonitrile
Also Known As: IFLab1_003960, azepan-1-yl(1H-indol-3-yl)acetonitrile, 2-(azepan-1-yl)-2-(1H-indol-3-yl)acetonitrile, 2-azaperhydroepinyl-2-indol-3-ylethanenitrile
| Molecular Formula | C16H19N3 |
|---|---|
| Molecular Weight | 253.16 g/mol |
| LogP | 3.60858 |
| Topological Polar Surface Area | 42.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.1579 |
| Heavy Atoms | 19 |
| Complexity | 585.305 |
Chemical Identifiers
| CAS Number | 304661-96-9 |
|---|---|
| SMILES | C1CCCN(CC1)C(C#N)C2=CNC3=CC=CC=C32 |
Product Overview
2-(azepan-1-yl)-2-(1H-indol-3-yl)acetonitrile (CAS 304661-96-9), with molecular formula C16H19N3 and molecular weight 253.16 g/mol. IUPAC: 2-(azepan-1-yl)-2-(1H-indol-3-yl)acetonitrile.
Chemical Property Profile of 2-(azepan-1-yl)-2-(1H-indol-3-yl)acetonitrile
Property Insights of 2-(azepan-1-yl)-2-(1H-indol-3-yl)acetonitrile
The XLogP value of 3.60858 indicates that 2-(azepan-1-yl)-2-(1H-indol-3-yl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.82 Ų, 2-(azepan-1-yl)-2-(1H-indol-3-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(azepan-1-yl)-2-(1H-indol-3-yl)acetonitrile 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 2-(azepan-1-yl)-2-(1H-indol-3-yl)acetonitrile?
The CAS number of 2-(azepan-1-yl)-2-(1H-indol-3-yl)acetonitrile is 304661-96-9.
What is the molecular formula of 2-(azepan-1-yl)-2-(1H-indol-3-yl)acetonitrile?
The molecular formula of 2-(azepan-1-yl)-2-(1H-indol-3-yl)acetonitrile is C16H19N3.
What is the molecular weight of 2-(azepan-1-yl)-2-(1H-indol-3-yl)acetonitrile?
The molecular weight of 2-(azepan-1-yl)-2-(1H-indol-3-yl)acetonitrile is 253.16 g/mol.
Where can I buy 2-(azepan-1-yl)-2-(1H-indol-3-yl)acetonitrile?
You can request a quote for 2-(azepan-1-yl)-2-(1H-indol-3-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(azepan-1-yl)-2-(1H-indol-3-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(azepan-1-yl)-2-(1H-indol-3-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.