Metrifudil
TL;DR: Metrifudil (CAS 23707-33-7) is a chemical compound with molecular formula C18H21N5O4 and molecular weight 371.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-methylphenyl)methylamino]purin-9-yl]oxolane-3,4-diol
Also Known As: Metrifudil, Metrifudilum, Metrifudil [INN], Adenosine analog, 16, Th 322
| Molecular Formula | C18H21N5O4 |
|---|---|
| Molecular Weight | 371.16 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.15936 |
| Heavy Atoms | 27 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 23707-33-7 |
|---|---|
| SMILES | CC1=CC=CC=C1CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O |
| InChIKey | OOEMZCZWZXHBKW-SCFUHWHPSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Metrifudil (CAS 23707-33-7), with molecular formula C18H21N5O4 and molecular weight 371.16 g/mol. IUPAC: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-methylphenyl)methylamino]purin-9-yl]oxolane-3,4-diol.
Chemical Property Profile of Metrifudil
Property Insights of Metrifudil
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Metrifudil. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Metrifudil. Following Lipinski's Rule of Five, Metrifudil has 4 hydrogen bond donor(s) and 8 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 Metrifudil?
The CAS number of Metrifudil is 23707-33-7.
What is the molecular formula of Metrifudil?
The molecular formula of Metrifudil is C18H21N5O4.
What is the molecular weight of Metrifudil?
The molecular weight of Metrifudil is 371.16 g/mol.
Where can I buy Metrifudil?
You can request a quote for Metrifudil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metrifudil?
Yes, KEHONG BIO provides custom synthesis services for Metrifudil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.