RefChem:1058253
TL;DR: RefChem:1058253 (CAS 142665-35-8) is a chemical compound with molecular formula C22H24N4O5 and molecular weight 424.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(prop-2-enyl)-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione
Also Known As: (E)-1,3-Diallyl-8-(3,4,5-trimethoxystyryl)xanthine, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-di-2-propenyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, (E)-, 1,3-Diallyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]xanthine, 1,3-bis(prop-2-enyl)-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione, 1,3-Diallyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C22H24N4O5 |
|---|---|
| Molecular Weight | 424.17 g/mol |
| LogP | 2.4545 |
| Topological Polar Surface Area | 100.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 424.17468 |
| Heavy Atoms | 31 |
| Complexity | 1254.514 |
Chemical Identifiers
| CAS Number | 142665-35-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C/C2=NC3=C(N2)C(=O)N(C(=O)N3CC=C)CC=C |
Product Overview
RefChem:1058253 (CAS 142665-35-8), with molecular formula C22H24N4O5 and molecular weight 424.17 g/mol. IUPAC: 1,3-bis(prop-2-enyl)-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione.
Chemical Property Profile of RefChem:1058253
Property Insights of RefChem:1058253
The XLogP value of 2.4545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058253. The TPSA of 100.37 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058253. Following Lipinski's Rule of Five, RefChem:1058253 has 1 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 RefChem:1058253?
The CAS number of RefChem:1058253 is 142665-35-8.
What is the molecular formula of RefChem:1058253?
The molecular formula of RefChem:1058253 is C22H24N4O5.
What is the molecular weight of RefChem:1058253?
The molecular weight of RefChem:1058253 is 424.17 g/mol.
Where can I buy RefChem:1058253?
You can request a quote for RefChem:1058253 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058253?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058253 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.