3-(Decyloxy)benzoic acid
TL;DR: 3-(Decyloxy)benzoic acid (CAS 79785-46-9) is a chemical compound with molecular formula C17H26O3 and molecular weight 278.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-decoxybenzoic acid
Also Known As: 3-(decyloxy)benzoic acid, 3-decoxybenzoic Acid, 3-decyloxybenzoic acid, 3-n-Decyloxybenzoic acid, J1.463.368E
| Molecular Formula | C17H26O3 |
|---|---|
| Molecular Weight | 278.19 g/mol |
| LogP | 4.9043 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 278.1882 |
| Heavy Atoms | 20 |
| Complexity | 387.57645 |
Chemical Identifiers
| CAS Number | 79785-46-9 |
|---|---|
| SMILES | CCCCCCCCCCOC1=CC=CC(=C1)C(=O)O |
Product Overview
3-(Decyloxy)benzoic acid (CAS 79785-46-9), with molecular formula C17H26O3 and molecular weight 278.19 g/mol. IUPAC: 3-decoxybenzoic acid.
Chemical Property Profile of 3-(Decyloxy)benzoic acid
Property Insights of 3-(Decyloxy)benzoic acid
The XLogP value of 4.9043 indicates that 3-(Decyloxy)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 3-(Decyloxy)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Decyloxy)benzoic acid has 1 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 3-(Decyloxy)benzoic acid?
The CAS number of 3-(Decyloxy)benzoic acid is 79785-46-9.
What is the molecular formula of 3-(Decyloxy)benzoic acid?
The molecular formula of 3-(Decyloxy)benzoic acid is C17H26O3.
What is the molecular weight of 3-(Decyloxy)benzoic acid?
The molecular weight of 3-(Decyloxy)benzoic acid is 278.19 g/mol.
Where can I buy 3-(Decyloxy)benzoic acid?
You can request a quote for 3-(Decyloxy)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Decyloxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Decyloxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.