m-Cresyl hexanoate
TL;DR: m-Cresyl hexanoate (CAS 68140-55-6) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl) hexanoate
Also Known As: m-Cresyl hexanoate, 3-Methylphenyl hexanoate, m-Cresyl caproate, Hexanoic acid, 3-methylphenyl ester, meta-cresyl hexanoate
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 68140-55-6 |
|---|---|
| SMILES | CCCCCC(=O)OC1=CC=CC(=C1)C |
| InChIKey | KFAYELJEHIGXQO-UHFFFAOYSA-N |
Product Overview
m-Cresyl hexanoate (CAS 68140-55-6), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: (3-methylphenyl) hexanoate.
Chemical Property Profile of m-Cresyl hexanoate
Property Insights of m-Cresyl hexanoate
The XLogP value of 4.0 indicates that m-Cresyl hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, m-Cresyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-Cresyl hexanoate 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 m-Cresyl hexanoate?
The CAS number of m-Cresyl hexanoate is 68140-55-6.
What is the molecular formula of m-Cresyl hexanoate?
The molecular formula of m-Cresyl hexanoate is C13H18O2.
What is the molecular weight of m-Cresyl hexanoate?
The molecular weight of m-Cresyl hexanoate is 206.13 g/mol.
Where can I buy m-Cresyl hexanoate?
You can request a quote for m-Cresyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Cresyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for m-Cresyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.