Benzoic acid, 4-pentyl-, methyl ester
TL;DR: Benzoic acid, 4-pentyl-, methyl ester (CAS 26311-44-4) 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.
methyl 4-pentylbenzoate
Also Known As: methyl 4-pentylbenzoate, Methyl p-pentylbenzoate, methylp-pentylbenzoate, Benzoic acid, 4-pentyl-, methyl ester, 4-Pentylbenzoic acid methyl ester
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 4.8 |
| 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 | 181.0 |
Chemical Identifiers
| CAS Number | 26311-44-4 |
|---|---|
| SMILES | CCCCCC1=CC=C(C=C1)C(=O)OC |
| InChIKey | STDGBCHZHMQCAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-pentyl-, methyl ester (CAS 26311-44-4), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: methyl 4-pentylbenzoate.
Chemical Property Profile of Benzoic acid, 4-pentyl-, methyl ester
Property Insights of Benzoic acid, 4-pentyl-, methyl ester
The XLogP value of 4.8 indicates that Benzoic acid, 4-pentyl-, 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-pentyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-pentyl-, methyl ester 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 Benzoic acid, 4-pentyl-, methyl ester?
The CAS number of Benzoic acid, 4-pentyl-, methyl ester is 26311-44-4.
What is the molecular formula of Benzoic acid, 4-pentyl-, methyl ester?
The molecular formula of Benzoic acid, 4-pentyl-, methyl ester is C13H18O2.
What is the molecular weight of Benzoic acid, 4-pentyl-, methyl ester?
The molecular weight of Benzoic acid, 4-pentyl-, methyl ester is 206.13 g/mol.
Where can I buy Benzoic acid, 4-pentyl-, methyl ester?
You can request a quote for Benzoic acid, 4-pentyl-, 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-pentyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-pentyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.