布洛芬
TL;DR: 布洛芬 (CAS 15687-27-1) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
布洛芬
2-[4-(2-methylpropyl)phenyl]propanoic acid
Also Known As: ibuprofen, Motrin, Brufen, Advil, 2-(4-Isobutylphenyl)propanoic acid
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
| Melting Point | 75-77.5 ºC |
| Boiling Point | 157 |
| Solubility | 21 |
| Vapor Pressure | 4.74X10-5 mm Hg @ 25 °C |
Chemical Identifiers
| CAS Number | 15687-27-1 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)C(C)C(=O)O |
| InChIKey | HEFNNWSXXWATRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
布洛芬 (CAS 15687-27-1), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 2-[4-(2-methylpropyl)phenyl]propanoic acid.
Chemical Property Profile of 布洛芬
Property Insights of 布洛芬
The XLogP value of 3.5 indicates that 布洛芬 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 布洛芬 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 布洛芬 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 布洛芬?
The CAS number of 布洛芬 is 15687-27-1.
What is the molecular formula of 布洛芬?
The molecular formula of 布洛芬 is C13H18O2.
What is the molecular weight of 布洛芬?
The molecular weight of 布洛芬 is 206.13 g/mol.
Where can I buy 布洛芬?
You can request a quote for 布洛芬 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 布洛芬?
Yes, KEHONG BIO provides custom synthesis services for 布洛芬 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.