Phenicaberan
TL;DR: Phenicaberan (CAS 95696-19-8) is a chemical compound with molecular formula C20H21NO4 and molecular weight 339.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
Also Known As: Phenicaberan, Phenicaberanum, Phenicaberan [WHO-DD], Ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate, IFLab1_001063
| Molecular Formula | C20H21NO4 |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.14706 |
| Heavy Atoms | 25 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 95696-19-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)C3=CC=CC=C3 |
| InChIKey | JXUHSUSCLWIKEW-UHFFFAOYSA-N |
Product Overview
Phenicaberan (CAS 95696-19-8), with molecular formula C20H21NO4 and molecular weight 339.15 g/mol. IUPAC: ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of Phenicaberan
Property Insights of Phenicaberan
The XLogP value of 3.7 indicates that Phenicaberan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenicaberan. Following Lipinski's Rule of Five, Phenicaberan has 1 hydrogen bond donor(s) and 5 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 Phenicaberan?
The CAS number of Phenicaberan is 95696-19-8.
What is the molecular formula of Phenicaberan?
The molecular formula of Phenicaberan is C20H21NO4.
What is the molecular weight of Phenicaberan?
The molecular weight of Phenicaberan is 339.15 g/mol.
Where can I buy Phenicaberan?
You can request a quote for Phenicaberan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenicaberan?
Yes, KEHONG BIO provides custom synthesis services for Phenicaberan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.