4-苯氧基丁酸
TL;DR: 4-苯氧基丁酸 (CAS 6303-58-8) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-苯氧基丁酸
4-phenoxybutanoic acid
Also Known As: 4-Phenoxybutanoic acid, 4-PHENOXYBUTYRIC ACID, Butanoic acid, 4-phenoxy-, Butyric acid, 4-phenoxy-, gamma-Phenoxybutyric acid
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 6303-58-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCCC(=O)O |
| InChIKey | YKYVPFIBWVQZCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-苯氧基丁酸 (CAS 6303-58-8), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 4-phenoxybutanoic acid.
Chemical Property Profile of 4-苯氧基丁酸
Property Insights of 4-苯氧基丁酸
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-苯氧基丁酸. With a topological polar surface area (TPSA) of 46.5 Ų, 4-苯氧基丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-苯氧基丁酸 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 4-苯氧基丁酸?
The CAS number of 4-苯氧基丁酸 is 6303-58-8.
What is the molecular formula of 4-苯氧基丁酸?
The molecular formula of 4-苯氧基丁酸 is C10H12O3.
What is the molecular weight of 4-苯氧基丁酸?
The molecular weight of 4-苯氧基丁酸 is 180.08 g/mol.
Where can I buy 4-苯氧基丁酸?
You can request a quote for 4-苯氧基丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-苯氧基丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-苯氧基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.