4-甲基环己烯
TL;DR: 4-甲基环己烯 (CAS 591-47-9) is a chemical compound with molecular formula C7H12 and molecular weight 96.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基环己烯
4-methylcyclohexene
Also Known As: 4-METHYLCYCLOHEXENE, 4-Methyl-1-cyclohexene, Cyclohexene, 4-methyl-, 4-Methylcyclohex-1-ene, 4-Methyl-1-cycl
| Molecular Formula | C7H12 |
|---|---|
| Molecular Weight | 96.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 96.0939 |
| Heavy Atoms | 7 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 591-47-9 |
|---|---|
| SMILES | CC1CCC=CC1 |
| InChIKey | FSWCCQWDVGZMRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基环己烯 (CAS 591-47-9), with molecular formula C7H12 and molecular weight 96.09 g/mol. IUPAC: 4-methylcyclohexene.
Chemical Property Profile of 4-甲基环己烯
Property Insights of 4-甲基环己烯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基环己烯. With a topological polar surface area (TPSA) of 0.0 Ų, 4-甲基环己烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基环己烯 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 4-甲基环己烯?
The CAS number of 4-甲基环己烯 is 591-47-9.
What is the molecular formula of 4-甲基环己烯?
The molecular formula of 4-甲基环己烯 is C7H12.
What is the molecular weight of 4-甲基环己烯?
The molecular weight of 4-甲基环己烯 is 96.09 g/mol.
Where can I buy 4-甲基环己烯?
You can request a quote for 4-甲基环己烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基环己烯?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基环己烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.