4-(3-Butenyloxy)benzoic acid
TL;DR: 4-(3-Butenyloxy)benzoic acid (CAS 115595-30-7) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-but-3-enoxybenzoic acid
Also Known As: 4-(3-Butenyloxy)benzoic acid, 4-(But-3-en-1-yloxy)benzoic acid, 4-but-3-enoxybenzoic acid, Benzoic acid, 4-(3-buten-1-yloxy)-, p-(3-Butenyloxy)benzoic acid
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 115595-30-7 |
|---|---|
| SMILES | C=CCCOC1=CC=C(C=C1)C(=O)O |
| InChIKey | QXZIOUAINSTHGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3-Butenyloxy)benzoic acid (CAS 115595-30-7), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 4-but-3-enoxybenzoic acid.
Chemical Property Profile of 4-(3-Butenyloxy)benzoic acid
Property Insights of 4-(3-Butenyloxy)benzoic acid
The XLogP value of 3.1 indicates that 4-(3-Butenyloxy)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-(3-Butenyloxy)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Butenyloxy)benzoic acid 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 4-(3-Butenyloxy)benzoic acid?
The CAS number of 4-(3-Butenyloxy)benzoic acid is 115595-30-7.
What is the molecular formula of 4-(3-Butenyloxy)benzoic acid?
The molecular formula of 4-(3-Butenyloxy)benzoic acid is C11H12O3.
What is the molecular weight of 4-(3-Butenyloxy)benzoic acid?
The molecular weight of 4-(3-Butenyloxy)benzoic acid is 192.08 g/mol.
Where can I buy 4-(3-Butenyloxy)benzoic acid?
You can request a quote for 4-(3-Butenyloxy)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Butenyloxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Butenyloxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.