RefChem:1058299
TL;DR: RefChem:1058299 (CAS 155272-02-9) is a chemical compound with molecular formula C19H21FN4O2 and molecular weight 356.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethyl-8-[(E)-2-(3-fluoro-2-methylphenyl)ethenyl]-7-methylpurine-2,6-dione
Also Known As: C19H21FN4O2.1/2H2O, C19-H21-F-N4-O2.1/2H2-O, (E)-1,3-Diethyl-8-(3-fluoro-2-methylstyryl)-7-methylxanthine hemihydrate, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-fluoro-2-methylphenyl)ethenyl)-7-methyl-,(E)-, hydrate (2:1), 1,3-diethyl-8-[(E)-2-(3-fluoro-2-methylphenyl)ethenyl]-7-methylpurine-2,6-dione
| Molecular Formula | C19H21FN4O2 |
|---|---|
| Molecular Weight | 356.16 g/mol |
| LogP | 2.55442 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.16486 |
| Heavy Atoms | 26 |
| Complexity | 1135.1173 |
Chemical Identifiers
| CAS Number | 155272-02-9 |
|---|---|
| SMILES | CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=C(C(=CC=C3)F)C)C |
Product Overview
RefChem:1058299 (CAS 155272-02-9), with molecular formula C19H21FN4O2 and molecular weight 356.16 g/mol. IUPAC: 1,3-diethyl-8-[(E)-2-(3-fluoro-2-methylphenyl)ethenyl]-7-methylpurine-2,6-dione.
Chemical Property Profile of RefChem:1058299
Property Insights of RefChem:1058299
The XLogP value of 2.55442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058299. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058299. Following Lipinski's Rule of Five, RefChem:1058299 has 0 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 RefChem:1058299?
The CAS number of RefChem:1058299 is 155272-02-9.
What is the molecular formula of RefChem:1058299?
The molecular formula of RefChem:1058299 is C19H21FN4O2.
What is the molecular weight of RefChem:1058299?
The molecular weight of RefChem:1058299 is 356.16 g/mol.
Where can I buy RefChem:1058299?
You can request a quote for RefChem:1058299 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058299?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058299 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.