Benzoic acid, 4-(pentyloxy)-
TL;DR: Benzoic acid, 4-(pentyloxy)- (CAS 15872-41-0) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pentoxybenzoic acid
Also Known As: 4-(Pentyloxy)benzoic acid, 4-Pentyloxybenzoic acid, 4-n-Pentyloxybenzoic acid, 4-Pentoxybenzoic acid, Benzoic acid, 4-(pentyloxy)-
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 15872-41-0 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)C(=O)O |
| InChIKey | OZPPUPJQRJYTNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-(pentyloxy)- (CAS 15872-41-0), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 4-pentoxybenzoic acid.
Chemical Property Profile of Benzoic acid, 4-(pentyloxy)-
Property Insights of Benzoic acid, 4-(pentyloxy)-
The XLogP value of 4.1 indicates that Benzoic acid, 4-(pentyloxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Benzoic acid, 4-(pentyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(pentyloxy)- has 1 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, 4-(pentyloxy)-?
The CAS number of Benzoic acid, 4-(pentyloxy)- is 15872-41-0.
What is the molecular formula of Benzoic acid, 4-(pentyloxy)-?
The molecular formula of Benzoic acid, 4-(pentyloxy)- is C12H16O3.
What is the molecular weight of Benzoic acid, 4-(pentyloxy)-?
The molecular weight of Benzoic acid, 4-(pentyloxy)- is 208.11 g/mol.
Where can I buy Benzoic acid, 4-(pentyloxy)-?
You can request a quote for Benzoic acid, 4-(pentyloxy)- 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-(pentyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(pentyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.