RefChem:1058438
TL;DR: RefChem:1058438 (CAS 155271-34-4) is a chemical compound with molecular formula C21H26N4O3 and molecular weight 382.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(E)-2-(4-butoxyphenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione
Also Known As: (E)-8-(4-Butoxystyryl)-1,3-diethylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-butoxyphenyl)ethenyl)-1,3-diethyl-, (E)-, (E)-8-(2-(4-Butoxyphenyl)ethenyl)-1,3-diethyl-3,7-dihydro-1H-purine-2,6-dione, 8-[(E)-2-(4-butoxyphenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione, RefChem:1058438
| Molecular Formula | C21H26N4O3 |
|---|---|
| Molecular Weight | 382.20 g/mol |
| LogP | 3.2754 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 382.2005 |
| Heavy Atoms | 28 |
| Complexity | 1087.7667 |
Chemical Identifiers
| CAS Number | 155271-34-4 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)/C=C/C2=NC3=C(N2)C(=O)N(C(=O)N3CC)CC |
Product Overview
RefChem:1058438 (CAS 155271-34-4), with molecular formula C21H26N4O3 and molecular weight 382.20 g/mol. IUPAC: 8-[(E)-2-(4-butoxyphenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione.
Chemical Property Profile of RefChem:1058438
Property Insights of RefChem:1058438
The XLogP value of 3.2754 indicates that RefChem:1058438 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058438. Following Lipinski's Rule of Five, RefChem:1058438 has 1 hydrogen bond donor(s) and 4 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:1058438?
The CAS number of RefChem:1058438 is 155271-34-4.
What is the molecular formula of RefChem:1058438?
The molecular formula of RefChem:1058438 is C21H26N4O3.
What is the molecular weight of RefChem:1058438?
The molecular weight of RefChem:1058438 is 382.20 g/mol.
Where can I buy RefChem:1058438?
You can request a quote for RefChem:1058438 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058438?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058438 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.