4-methylphenyl 5-methylhex-2-enoate
TL;DR: 4-methylphenyl 5-methylhex-2-enoate (CAS 72060-09-4) is a chemical compound with molecular formula C14H18O2 and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) 5-methylhex-2-enoate
Also Known As: 4-methylphenyl 5-methylhex-2-enoate, 2-Hexenoic acid, 5-methyl-, 4-methylphenyl ester
| Molecular Formula | C14H18O2 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 218.13068 |
| Heavy Atoms | 16 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 72060-09-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)C=CCC(C)C |
| InChIKey | YNCYLQBRJQJTLH-UHFFFAOYSA-N |
Product Overview
4-methylphenyl 5-methylhex-2-enoate (CAS 72060-09-4), with molecular formula C14H18O2 and molecular weight 218.13 g/mol. IUPAC: (4-methylphenyl) 5-methylhex-2-enoate.
Chemical Property Profile of 4-methylphenyl 5-methylhex-2-enoate
Property Insights of 4-methylphenyl 5-methylhex-2-enoate
The XLogP value of 4.1 indicates that 4-methylphenyl 5-methylhex-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-methylphenyl 5-methylhex-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methylphenyl 5-methylhex-2-enoate 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 4-methylphenyl 5-methylhex-2-enoate?
The CAS number of 4-methylphenyl 5-methylhex-2-enoate is 72060-09-4.
What is the molecular formula of 4-methylphenyl 5-methylhex-2-enoate?
The molecular formula of 4-methylphenyl 5-methylhex-2-enoate is C14H18O2.
What is the molecular weight of 4-methylphenyl 5-methylhex-2-enoate?
The molecular weight of 4-methylphenyl 5-methylhex-2-enoate is 218.13 g/mol.
Where can I buy 4-methylphenyl 5-methylhex-2-enoate?
You can request a quote for 4-methylphenyl 5-methylhex-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methylphenyl 5-methylhex-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 4-methylphenyl 5-methylhex-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.