Tocanfil
TL;DR: Tocanfil (CAS 5634-42-4) is a chemical compound with molecular formula C23H37NO6 and molecular weight 423.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyethylamino)ethanol;2,2,3-trimethyl-3-[1-(4-methylphenyl)ethoxycarbonyl]cyclopentane-1-carboxylic acid
Also Known As: tocamphyl, Biliphorin, Biliphorine, Hepasynthyl, Hepatoxane
| Molecular Formula | C23H37NO6 |
|---|---|
| Molecular Weight | 423.26 g/mol |
| LogP | 2.69 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 423.2621 |
| Heavy Atoms | 30 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 5634-42-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C)OC(=O)C2(CCC(C2(C)C)C(=O)O)C.C(CO)NCCO |
| InChIKey | WSEQDEFUEFCRLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tocanfil (CAS 5634-42-4), with molecular formula C23H37NO6 and molecular weight 423.26 g/mol. IUPAC: 2-(2-hydroxyethylamino)ethanol;2,2,3-trimethyl-3-[1-(4-methylphenyl)ethoxycarbonyl]cyclopentane-1-carboxylic acid.
Chemical Property Profile of Tocanfil
Property Insights of Tocanfil
The XLogP value of 2.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tocanfil. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tocanfil. Following Lipinski's Rule of Five, Tocanfil has 4 hydrogen bond donor(s) and 7 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 Tocanfil?
The CAS number of Tocanfil is 5634-42-4.
What is the molecular formula of Tocanfil?
The molecular formula of Tocanfil is C23H37NO6.
What is the molecular weight of Tocanfil?
The molecular weight of Tocanfil is 423.26 g/mol.
Where can I buy Tocanfil?
You can request a quote for Tocanfil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tocanfil?
Yes, KEHONG BIO provides custom synthesis services for Tocanfil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.