Benzoic acid, 4-hexyl-, methyl ester
TL;DR: Benzoic acid, 4-hexyl-, methyl ester (CAS 38409-63-1) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-hexylbenzoate
Also Known As: Methyl 4-hexylbenzoate, Methyl p-hexylbenzoate, Benzoic acid, 4-hexyl-, methyl ester, 4-Hexylbenzoic acid methyl ester, Methyl 4-hexylbenzoate #
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 38409-63-1 |
|---|---|
| SMILES | CCCCCCC1=CC=C(C=C1)C(=O)OC |
| InChIKey | RTTGTHPEVMEHEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-hexyl-, methyl ester (CAS 38409-63-1), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: methyl 4-hexylbenzoate.
Chemical Property Profile of Benzoic acid, 4-hexyl-, methyl ester
Property Insights of Benzoic acid, 4-hexyl-, methyl ester
The XLogP value of 5.3 indicates that Benzoic acid, 4-hexyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoic acid, 4-hexyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-hexyl-, methyl ester 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 Benzoic acid, 4-hexyl-, methyl ester?
The CAS number of Benzoic acid, 4-hexyl-, methyl ester is 38409-63-1.
What is the molecular formula of Benzoic acid, 4-hexyl-, methyl ester?
The molecular formula of Benzoic acid, 4-hexyl-, methyl ester is C14H20O2.
What is the molecular weight of Benzoic acid, 4-hexyl-, methyl ester?
The molecular weight of Benzoic acid, 4-hexyl-, methyl ester is 220.15 g/mol.
Where can I buy Benzoic acid, 4-hexyl-, methyl ester?
You can request a quote for Benzoic acid, 4-hexyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-hexyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-hexyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.