Heptyl 3-methylbenzoate
TL;DR: Heptyl 3-methylbenzoate (CAS 10316-85-5) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 3-methylbenzoate
Also Known As: Heptyl 3-methylbenzoate, m-Toluic acid, heptyl ester, m-Toluylic acid, heptyl ester, Benzoic acid,3-methyl-, heptyl ester, RefChem:347305
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 10316-85-5 |
|---|---|
| SMILES | CCCCCCCOC(=O)C1=CC=CC(=C1)C |
| InChIKey | FTXBEVYVDATLGN-UHFFFAOYSA-N |
Product Overview
Heptyl 3-methylbenzoate (CAS 10316-85-5), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: heptyl 3-methylbenzoate.
Chemical Property Profile of Heptyl 3-methylbenzoate
Property Insights of Heptyl 3-methylbenzoate
The XLogP value of 5.5 indicates that Heptyl 3-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Heptyl 3-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl 3-methylbenzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Heptyl 3-methylbenzoate?
The CAS number of Heptyl 3-methylbenzoate is 10316-85-5.
What is the molecular formula of Heptyl 3-methylbenzoate?
The molecular formula of Heptyl 3-methylbenzoate is C15H22O2.
What is the molecular weight of Heptyl 3-methylbenzoate?
The molecular weight of Heptyl 3-methylbenzoate is 234.16 g/mol.
Where can I buy Heptyl 3-methylbenzoate?
You can request a quote for Heptyl 3-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl 3-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl 3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.