2-Cycloheptylacetonitrile
TL;DR: 2-Cycloheptylacetonitrile (CAS 6312-56-7) is a chemical compound with molecular formula C9H15N and molecular weight 137.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cycloheptylacetonitrile
Also Known As: Cycloheptaneacetonitrile, 2-cycloheptylacetonitrile, cycloheptylacetonitrile, 879-388-6, RefChem:470833
| Molecular Formula | C9H15N |
|---|---|
| Molecular Weight | 137.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.12045 |
| Heavy Atoms | 10 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 6312-56-7 |
|---|---|
| SMILES | C1CCCC(CC1)CC#N |
| InChIKey | KJMMTXAYZTXUQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cycloheptylacetonitrile (CAS 6312-56-7), with molecular formula C9H15N and molecular weight 137.12 g/mol. IUPAC: 2-cycloheptylacetonitrile.
Chemical Property Profile of 2-Cycloheptylacetonitrile
Property Insights of 2-Cycloheptylacetonitrile
The XLogP value of 3.2 indicates that 2-Cycloheptylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Cycloheptylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cycloheptylacetonitrile 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-Cycloheptylacetonitrile?
The CAS number of 2-Cycloheptylacetonitrile is 6312-56-7.
What is the molecular formula of 2-Cycloheptylacetonitrile?
The molecular formula of 2-Cycloheptylacetonitrile is C9H15N.
What is the molecular weight of 2-Cycloheptylacetonitrile?
The molecular weight of 2-Cycloheptylacetonitrile is 137.12 g/mol.
Where can I buy 2-Cycloheptylacetonitrile?
You can request a quote for 2-Cycloheptylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cycloheptylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Cycloheptylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.