Acefylline clofibrol
TL;DR: Acefylline clofibrol (CAS 70788-27-1) is a chemical compound with molecular formula C19H21ClN4O5 and molecular weight 420.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chlorophenoxy)-2-methylpropyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
Also Known As: Acefylline clofibrol, Acefilina clofibrol, Fibrafylline, Fifrafylline, Acetylline clofibrol
| Molecular Formula | C19H21ClN4O5 |
|---|---|
| Molecular Weight | 420.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 94.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.12006 |
| Heavy Atoms | 29 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 70788-27-1 |
|---|---|
| SMILES | CC(C)(COC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C)OC3=CC=C(C=C3)Cl |
| InChIKey | ICVMNUSJJHSLLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acefylline clofibrol (CAS 70788-27-1), with molecular formula C19H21ClN4O5 and molecular weight 420.12 g/mol. IUPAC: [2-(4-chlorophenoxy)-2-methylpropyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate.
Chemical Property Profile of Acefylline clofibrol
Property Insights of Acefylline clofibrol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acefylline clofibrol. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acefylline clofibrol. Following Lipinski's Rule of Five, Acefylline clofibrol has 0 hydrogen bond donor(s) and 6 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 Acefylline clofibrol?
The CAS number of Acefylline clofibrol is 70788-27-1.
What is the molecular formula of Acefylline clofibrol?
The molecular formula of Acefylline clofibrol is C19H21ClN4O5.
What is the molecular weight of Acefylline clofibrol?
The molecular weight of Acefylline clofibrol is 420.12 g/mol.
Where can I buy Acefylline clofibrol?
You can request a quote for Acefylline clofibrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acefylline clofibrol?
Yes, KEHONG BIO provides custom synthesis services for Acefylline clofibrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.