RefChem:1058257
TL;DR: RefChem:1058257 (CAS 155271-65-1) is a chemical compound with molecular formula C19H22N4O2 and molecular weight 338.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethyl-7-methyl-8-[(E)-1-phenylprop-1-en-2-yl]purine-2,6-dione
Also Known As: (E)-1,3-Diethyl-7-methyl-8-(alpha-methylstyryl)xanthine, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-7-methyl-8-(1-methyl-2-phenylethenyl)-, (E)-, (E)-1,3-Diethyl-7-methyl-8-(1-methyl-2-phenylethenyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3-diethyl-7-methyl-8-[(E)-1-phenylprop-1-en-2-yl]purine-2,6-dione, RefChem:1058257
| Molecular Formula | C19H22N4O2 |
|---|---|
| Molecular Weight | 338.17 g/mol |
| LogP | 2.497 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.1743 |
| Heavy Atoms | 25 |
| Complexity | 1068.7277 |
Chemical Identifiers
| CAS Number | 155271-65-1 |
|---|---|
| SMILES | CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C(=C/C3=CC=CC=C3)/C)C |
Product Overview
RefChem:1058257 (CAS 155271-65-1), with molecular formula C19H22N4O2 and molecular weight 338.17 g/mol. IUPAC: 1,3-diethyl-7-methyl-8-[(E)-1-phenylprop-1-en-2-yl]purine-2,6-dione.
Chemical Property Profile of RefChem:1058257
Property Insights of RefChem:1058257
The XLogP value of 2.497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058257. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058257. Following Lipinski's Rule of Five, RefChem:1058257 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:1058257?
The CAS number of RefChem:1058257 is 155271-65-1.
What is the molecular formula of RefChem:1058257?
The molecular formula of RefChem:1058257 is C19H22N4O2.
What is the molecular weight of RefChem:1058257?
The molecular weight of RefChem:1058257 is 338.17 g/mol.
Where can I buy RefChem:1058257?
You can request a quote for RefChem:1058257 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058257?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058257 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.