RefChem:1058356
TL;DR: RefChem:1058356 (CAS 151539-17-2) is a chemical compound with molecular formula C22H28N4O3 and molecular weight 396.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(E)-2-(4-methoxy-2,3-dimethylphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
Also Known As: (E)-8-(4-Methoxy-2,3-dimethylstyryl)-1,3-dipropylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(4-methoxy-2,3-dimethylphenyl)ethenyl)-, (E)-, 8-[(E)-2-(4-methoxy-2,3-dimethylphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione, RefChem:1058356
| Molecular Formula | C22H28N4O3 |
|---|---|
| Molecular Weight | 396.22 g/mol |
| LogP | 3.50214 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.21616 |
| Heavy Atoms | 29 |
| Complexity | 1181.4563 |
Chemical Identifiers
| CAS Number | 151539-17-2 |
|---|---|
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)/C=C/C3=C(C(=C(C=C3)OC)C)C |
Product Overview
RefChem:1058356 (CAS 151539-17-2), with molecular formula C22H28N4O3 and molecular weight 396.22 g/mol. IUPAC: 8-[(E)-2-(4-methoxy-2,3-dimethylphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione.
Chemical Property Profile of RefChem:1058356
Property Insights of RefChem:1058356
The XLogP value of 3.50214 indicates that RefChem:1058356 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:1058356. Following Lipinski's Rule of Five, RefChem:1058356 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:1058356?
The CAS number of RefChem:1058356 is 151539-17-2.
What is the molecular formula of RefChem:1058356?
The molecular formula of RefChem:1058356 is C22H28N4O3.
What is the molecular weight of RefChem:1058356?
The molecular weight of RefChem:1058356 is 396.22 g/mol.
Where can I buy RefChem:1058356?
You can request a quote for RefChem:1058356 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058356?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058356 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.