RefChem:1058444
TL;DR: RefChem:1058444 (CAS 155271-88-8) is a chemical compound with molecular formula C18H17BrN4O4 and molecular weight 432.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione
Also Known As: (E)-8-(2-Bromo-4,5-methylenedioxystyryl)-1,3-diethylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl)-1,3-diethyl-, (E)-, 8-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione, RefChem:1058444
| Molecular Formula | C18H17BrN4O4 |
|---|---|
| Molecular Weight | 432.04 g/mol |
| LogP | 2.5877 |
| Topological Polar Surface Area | 91.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.04333 |
| Heavy Atoms | 27 |
| Complexity | 1188.7605 |
Chemical Identifiers
| CAS Number | 155271-88-8 |
|---|---|
| SMILES | CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)/C=C/C3=CC4=C(C=C3Br)OCO4 |
Product Overview
RefChem:1058444 (CAS 155271-88-8), with molecular formula C18H17BrN4O4 and molecular weight 432.04 g/mol. IUPAC: 8-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione.
Chemical Property Profile of RefChem:1058444
Property Insights of RefChem:1058444
The XLogP value of 2.5877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058444. The TPSA of 91.14 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058444. Following Lipinski's Rule of Five, RefChem:1058444 has 1 hydrogen bond donor(s) and 5 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:1058444?
The CAS number of RefChem:1058444 is 155271-88-8.
What is the molecular formula of RefChem:1058444?
The molecular formula of RefChem:1058444 is C18H17BrN4O4.
What is the molecular weight of RefChem:1058444?
The molecular weight of RefChem:1058444 is 432.04 g/mol.
Where can I buy RefChem:1058444?
You can request a quote for RefChem:1058444 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058444?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.