Beclobrinic acid
TL;DR: Beclobrinic acid (CAS 71548-88-4) is a chemical compound with molecular formula C18H19ClO3 and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Beclobrinic acid
2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoic acid
Also Known As: Beclobrinic acid, beclobric acid, Sgd 6-75, 2-(4-(4-chlorobenzyl)phenoxy)-2-methylbutanoic acid, 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoic acid
| Molecular Formula | C18H19ClO3 |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.10226 |
| Heavy Atoms | 22 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 71548-88-4 |
|---|---|
| SMILES | CCC(C)(C(=O)O)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl |
| InChIKey | PBRVZNUUAUSXBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Beclobrinic acid (CAS 71548-88-4), with molecular formula C18H19ClO3 and molecular weight 318.10 g/mol. IUPAC: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoic acid.
Chemical Property Profile of Beclobrinic acid
Property Insights of Beclobrinic acid
The XLogP value of 4.8 indicates that Beclobrinic 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, Beclobrinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Beclobrinic 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 Beclobrinic acid?
The CAS number of Beclobrinic acid is 71548-88-4.
What is the molecular formula of Beclobrinic acid?
The molecular formula of Beclobrinic acid is C18H19ClO3.
What is the molecular weight of Beclobrinic acid?
The molecular weight of Beclobrinic acid is 318.10 g/mol.
Where can I buy Beclobrinic acid?
You can request a quote for Beclobrinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Beclobrinic acid?
Yes, KEHONG BIO provides custom synthesis services for Beclobrinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.