m-Cyclohexen-1-yltoluene
TL;DR: m-Cyclohexen-1-yltoluene (CAS 22618-50-4) is a chemical compound with molecular formula C13H16 and molecular weight 172.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(cyclohexen-1-yl)-3-methylbenzene
Also Known As: m-Cyclohexen-1-yltoluene, 1-(cyclohex-1-en-1-yl)-3-methylbenzene, 1-(cyclohexen-1-yl)-3-methylbenzene, NCIOpen2_001910, 3'-Methyl-2,3,4,5-tetrahydro-1,1'-biphenyl
| Molecular Formula | C13H16 |
|---|---|
| Molecular Weight | 172.13 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.1252 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 22618-50-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=CCCCC2 |
| InChIKey | WDIJGRJAKSMZRV-UHFFFAOYSA-N |
Product Overview
m-Cyclohexen-1-yltoluene (CAS 22618-50-4), with molecular formula C13H16 and molecular weight 172.13 g/mol. IUPAC: 1-(cyclohexen-1-yl)-3-methylbenzene.
Chemical Property Profile of m-Cyclohexen-1-yltoluene
Property Insights of m-Cyclohexen-1-yltoluene
The XLogP value of 4.9 indicates that m-Cyclohexen-1-yltoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, m-Cyclohexen-1-yltoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-Cyclohexen-1-yltoluene has 0 hydrogen bond donor(s) and 0 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 m-Cyclohexen-1-yltoluene?
The CAS number of m-Cyclohexen-1-yltoluene is 22618-50-4.
What is the molecular formula of m-Cyclohexen-1-yltoluene?
The molecular formula of m-Cyclohexen-1-yltoluene is C13H16.
What is the molecular weight of m-Cyclohexen-1-yltoluene?
The molecular weight of m-Cyclohexen-1-yltoluene is 172.13 g/mol.
Where can I buy m-Cyclohexen-1-yltoluene?
You can request a quote for m-Cyclohexen-1-yltoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Cyclohexen-1-yltoluene?
Yes, KEHONG BIO provides custom synthesis services for m-Cyclohexen-1-yltoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.