4-苄氧基苯基丁酸
TL;DR: 4-苄氧基苯基丁酸 (CAS 117726-65-5) is a chemical compound with molecular formula C17H18O3 and molecular weight 270.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-苄氧基苯基丁酸
2-(4-phenylmethoxyphenyl)butanoic acid
Also Known As: 4-benzyloxyphenylbutyric acid, 2-[4-(benzyloxy)phenyl]butanoic acid, 2-(4-phenylmethoxyphenyl)butanoic acid, NCI60_005195
| Molecular Formula | C17H18O3 |
|---|---|
| Molecular Weight | 270.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 270.12558 |
| Heavy Atoms | 20 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 117726-65-5 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O |
| InChIKey | MNSDWKQEXPQMMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-苄氧基苯基丁酸 (CAS 117726-65-5), with molecular formula C17H18O3 and molecular weight 270.13 g/mol. IUPAC: 2-(4-phenylmethoxyphenyl)butanoic acid.
Chemical Property Profile of 4-苄氧基苯基丁酸
Property Insights of 4-苄氧基苯基丁酸
The XLogP value of 3.8 indicates that 4-苄氧基苯基丁酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-苄氧基苯基丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-苄氧基苯基丁酸 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-苄氧基苯基丁酸?
The CAS number of 4-苄氧基苯基丁酸 is 117726-65-5.
What is the molecular formula of 4-苄氧基苯基丁酸?
The molecular formula of 4-苄氧基苯基丁酸 is C17H18O3.
What is the molecular weight of 4-苄氧基苯基丁酸?
The molecular weight of 4-苄氧基苯基丁酸 is 270.13 g/mol.
Where can I buy 4-苄氧基苯基丁酸?
You can request a quote for 4-苄氧基苯基丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-苄氧基苯基丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-苄氧基苯基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.