3-丁氧基苯甲酸
TL;DR: 3-丁氧基苯甲酸 (CAS 93351-38-3) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-丁氧基苯甲酸
3-butoxybenzoic acid
Also Known As: 3-butoxybenzoic acid, 3-Butoxy-benzoic acid, Benzoic acid, 3-butoxy-, 3-n-Butoxybenzoic acid, 3-Butoxy-benzoicacid
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 93351-38-3 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)C(=O)O |
| InChIKey | DNGXQBZMSWQUKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-丁氧基苯甲酸 (CAS 93351-38-3), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 3-butoxybenzoic acid.
Chemical Property Profile of 3-丁氧基苯甲酸
Property Insights of 3-丁氧基苯甲酸
The XLogP value of 3.3 indicates that 3-丁氧基苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-丁氧基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-丁氧基苯甲酸 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 3-丁氧基苯甲酸?
The CAS number of 3-丁氧基苯甲酸 is 93351-38-3.
What is the molecular formula of 3-丁氧基苯甲酸?
The molecular formula of 3-丁氧基苯甲酸 is C11H14O3.
What is the molecular weight of 3-丁氧基苯甲酸?
The molecular weight of 3-丁氧基苯甲酸 is 194.09 g/mol.
Where can I buy 3-丁氧基苯甲酸?
You can request a quote for 3-丁氧基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-丁氧基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-丁氧基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.