Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate
TL;DR: Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate (CAS 26460-67-3) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-prop-1-en-2-ylcyclohexene-1-carboxylate
Also Known As: Methyl perillate, METHYLPERILLATE, Perillic acid methyl ester, Methyl 4-prop-1-en-2-ylcyclohexene-1-carboxylate, Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 2.462 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 250.81589 |
Chemical Identifiers
| CAS Number | 26460-67-3 |
|---|---|
| SMILES | CC(=C)C1CCC(=CC1)C(=O)OC |
Product Overview
Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate (CAS 26460-67-3), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: methyl 4-prop-1-en-2-ylcyclohexene-1-carboxylate.
Chemical Property Profile of Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate
Property Insights of Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate
The XLogP value of 2.462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate has 0 hydrogen bond donor(s) and 2 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 Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate?
The CAS number of Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate is 26460-67-3.
What is the molecular formula of Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate?
The molecular formula of Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate is C11H16O2.
What is the molecular weight of Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate?
The molecular weight of Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate is 180.12 g/mol.
Where can I buy Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate?
You can request a quote for Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.