1,5-Dimethylcyclohex-3-ene-1-carbonitrile
TL;DR: 1,5-Dimethylcyclohex-3-ene-1-carbonitrile (CAS 24054-25-9) is a chemical compound with molecular formula C9H13N and molecular weight 135.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethylcyclohex-3-ene-1-carbonitrile
Also Known As: 1,5-dimethylcyclohex-3-ene-1-carbonitrile, 3-Cyclohexene-1-carbonitrile,1,5-dimethyl-
| Molecular Formula | C9H13N |
|---|---|
| Molecular Weight | 135.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.1048 |
| Heavy Atoms | 10 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 24054-25-9 |
|---|---|
| SMILES | CC1CC(CC=C1)(C)C#N |
| InChIKey | BFXRUJXGHHYJAB-UHFFFAOYSA-N |
Product Overview
1,5-Dimethylcyclohex-3-ene-1-carbonitrile (CAS 24054-25-9), with molecular formula C9H13N and molecular weight 135.10 g/mol. IUPAC: 1,5-dimethylcyclohex-3-ene-1-carbonitrile.
Chemical Property Profile of 1,5-Dimethylcyclohex-3-ene-1-carbonitrile
Property Insights of 1,5-Dimethylcyclohex-3-ene-1-carbonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dimethylcyclohex-3-ene-1-carbonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 1,5-Dimethylcyclohex-3-ene-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Dimethylcyclohex-3-ene-1-carbonitrile 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 1,5-Dimethylcyclohex-3-ene-1-carbonitrile?
The CAS number of 1,5-Dimethylcyclohex-3-ene-1-carbonitrile is 24054-25-9.
What is the molecular formula of 1,5-Dimethylcyclohex-3-ene-1-carbonitrile?
The molecular formula of 1,5-Dimethylcyclohex-3-ene-1-carbonitrile is C9H13N.
What is the molecular weight of 1,5-Dimethylcyclohex-3-ene-1-carbonitrile?
The molecular weight of 1,5-Dimethylcyclohex-3-ene-1-carbonitrile is 135.10 g/mol.
Where can I buy 1,5-Dimethylcyclohex-3-ene-1-carbonitrile?
You can request a quote for 1,5-Dimethylcyclohex-3-ene-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dimethylcyclohex-3-ene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dimethylcyclohex-3-ene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.