布替布芬
TL;DR: 布替布芬 (CAS 55837-18-8) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
布替布芬
2-[4-(2-methylpropyl)phenyl]butanoic acid
Also Known As: Butibufen, Butibufene, Butilopan, Butibufenum, Butibufeno
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 55837-18-8 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)CC(C)C)C(=O)O |
| InChIKey | UULSXYSSHHRCQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
布替布芬 (CAS 55837-18-8), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: 2-[4-(2-methylpropyl)phenyl]butanoic acid.
Chemical Property Profile of 布替布芬
Property Insights of 布替布芬
The XLogP value of 3.9 indicates that 布替布芬 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 布替布芬 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 布替布芬 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 布替布芬?
The CAS number of 布替布芬 is 55837-18-8.
What is the molecular formula of 布替布芬?
The molecular formula of 布替布芬 is C14H20O2.
What is the molecular weight of 布替布芬?
The molecular weight of 布替布芬 is 220.15 g/mol.
Where can I buy 布替布芬?
You can request a quote for 布替布芬 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 布替布芬?
Yes, KEHONG BIO provides custom synthesis services for 布替布芬 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.