RefChem:1058406
TL;DR: RefChem:1058406 (CAS 155271-44-6) is a chemical compound with molecular formula C17H17ClN4O4 and molecular weight 376.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(E)-2-(2-chloro-3,4-dimethoxyphenyl)ethenyl]-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: (E)-8-(2-Chloro-3,4-dimethoxystyryl)theophylline, 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2-chloro-3,4-dimethoxyphenyl)ethenyl)-1,3-dimethyl-, (E)-, 8-[(E)-2-(2-chloro-3,4-dimethoxyphenyl)ethenyl]-1,3-dimethyl-7H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2-chloro-3,4-dimethoxyphenyl)et henyl)-1,3-dimethyl-, (E)-, 1H-Purine-2,6-dione,8-[2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-3,7-dihydro-,(E)-(9CI)
| Molecular Formula | C17H17ClN4O4 |
|---|---|
| Molecular Weight | 376.09 g/mol |
| LogP | 1.8013 |
| Topological Polar Surface Area | 91.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.09384 |
| Heavy Atoms | 26 |
| Complexity | 1140.3411 |
Chemical Identifiers
| CAS Number | 155271-44-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)/C=C/C3=C(C(=C(C=C3)OC)OC)Cl |
Product Overview
RefChem:1058406 (CAS 155271-44-6), with molecular formula C17H17ClN4O4 and molecular weight 376.09 g/mol. IUPAC: 8-[(E)-2-(2-chloro-3,4-dimethoxyphenyl)ethenyl]-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of RefChem:1058406
Property Insights of RefChem:1058406
The XLogP value of 1.8013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058406. The TPSA of 91.14 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058406. Following Lipinski's Rule of Five, RefChem:1058406 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:1058406?
The CAS number of RefChem:1058406 is 155271-44-6.
What is the molecular formula of RefChem:1058406?
The molecular formula of RefChem:1058406 is C17H17ClN4O4.
What is the molecular weight of RefChem:1058406?
The molecular weight of RefChem:1058406 is 376.09 g/mol.
Where can I buy RefChem:1058406?
You can request a quote for RefChem:1058406 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058406?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058406 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.