环己-2-烯-1-甲腈
TL;DR: 环己-2-烯-1-甲腈 (CAS 13048-17-4) is a chemical compound with molecular formula C7H9N and molecular weight 107.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环己-2-烯-1-甲腈
cyclohex-2-ene-1-carbonitrile
Also Known As: cyclohex-2-ene-1-carbonitrile, 2-Cyclohexene-1-carbonitrile, cyclohexen-3-carbonitril, cyclohex-2-encarbonitrile, 2-Cyclohexen-1-carbonitrile
| Molecular Formula | C7H9N |
|---|---|
| Molecular Weight | 107.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 107.0735 |
| Heavy Atoms | 8 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 13048-17-4 |
|---|---|
| SMILES | C1CC=CC(C1)C#N |
| InChIKey | SHQBSKNMMFNYGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环己-2-烯-1-甲腈 (CAS 13048-17-4), with molecular formula C7H9N and molecular weight 107.07 g/mol. IUPAC: cyclohex-2-ene-1-carbonitrile.
Chemical Property Profile of 环己-2-烯-1-甲腈
Property Insights of 环己-2-烯-1-甲腈
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 环己-2-烯-1-甲腈. With a topological polar surface area (TPSA) of 23.8 Ų, 环己-2-烯-1-甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 环己-2-烯-1-甲腈 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 环己-2-烯-1-甲腈?
The CAS number of 环己-2-烯-1-甲腈 is 13048-17-4.
What is the molecular formula of 环己-2-烯-1-甲腈?
The molecular formula of 环己-2-烯-1-甲腈 is C7H9N.
What is the molecular weight of 环己-2-烯-1-甲腈?
The molecular weight of 环己-2-烯-1-甲腈 is 107.07 g/mol.
Where can I buy 环己-2-烯-1-甲腈?
You can request a quote for 环己-2-烯-1-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环己-2-烯-1-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 环己-2-烯-1-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.