Benzoic acid, o-(pentyloxy)-, methyl ester
TL;DR: Benzoic acid, o-(pentyloxy)-, methyl ester (CAS 21018-10-0) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-pentoxybenzoate
Also Known As: methyl 2-pentoxybenzoate, Methyl 2-(pentyloxy)benzoate, Benzoic acid, o-(pentyloxy)-, methyl ester, Methyl 2-n-pentyloxybenzoate, Methyl 2-(pentyloxy)benzoate #
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 21018-10-0 |
|---|---|
| SMILES | CCCCCOC1=CC=CC=C1C(=O)OC |
| InChIKey | PGMDHIWMVVZDGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, o-(pentyloxy)-, methyl ester (CAS 21018-10-0), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: methyl 2-pentoxybenzoate.
Chemical Property Profile of Benzoic acid, o-(pentyloxy)-, methyl ester
Property Insights of Benzoic acid, o-(pentyloxy)-, methyl ester
The XLogP value of 3.8 indicates that Benzoic acid, o-(pentyloxy)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Benzoic acid, o-(pentyloxy)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, o-(pentyloxy)-, methyl ester has 0 hydrogen bond donor(s) and 3 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, o-(pentyloxy)-, methyl ester?
The CAS number of Benzoic acid, o-(pentyloxy)-, methyl ester is 21018-10-0.
What is the molecular formula of Benzoic acid, o-(pentyloxy)-, methyl ester?
The molecular formula of Benzoic acid, o-(pentyloxy)-, methyl ester is C13H18O3.
What is the molecular weight of Benzoic acid, o-(pentyloxy)-, methyl ester?
The molecular weight of Benzoic acid, o-(pentyloxy)-, methyl ester is 222.13 g/mol.
Where can I buy Benzoic acid, o-(pentyloxy)-, methyl ester?
You can request a quote for Benzoic acid, o-(pentyloxy)-, 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, o-(pentyloxy)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, o-(pentyloxy)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.