RefChem:1058430
TL;DR: RefChem:1058430 (CAS 155271-97-9) is a chemical compound with molecular formula C17H16ClFN4O2 and molecular weight 362.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(E)-2-(3-chloro-4-fluorophenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione
Also Known As: (E)-8-(3-Chloro-4-fluorostyryl)-1,3-diethylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-chloro-4-fluorophenyl)ethenyl)-1,3-diethyl-, (E)-, (E)-8-(2-(3-Chloro-4-fluorophenyl)ethenyl)-1,3-diethyl-3,7-dihydro-1H-purine-2,6-dione, 8-[(E)-2-(3-chloro-4-fluorophenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione, RefChem:1058430
| Molecular Formula | C17H16ClFN4O2 |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 2.889 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.09457 |
| Heavy Atoms | 25 |
| Complexity | 1094.4465 |
Chemical Identifiers
| CAS Number | 155271-97-9 |
|---|---|
| SMILES | CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)/C=C/C3=CC(=C(C=C3)F)Cl |
Product Overview
RefChem:1058430 (CAS 155271-97-9), with molecular formula C17H16ClFN4O2 and molecular weight 362.09 g/mol. IUPAC: 8-[(E)-2-(3-chloro-4-fluorophenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione.
Chemical Property Profile of RefChem:1058430
Property Insights of RefChem:1058430
The XLogP value of 2.889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058430. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058430. Following Lipinski's Rule of Five, RefChem:1058430 has 1 hydrogen bond donor(s) and 3 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:1058430?
The CAS number of RefChem:1058430 is 155271-97-9.
What is the molecular formula of RefChem:1058430?
The molecular formula of RefChem:1058430 is C17H16ClFN4O2.
What is the molecular weight of RefChem:1058430?
The molecular weight of RefChem:1058430 is 362.09 g/mol.
Where can I buy RefChem:1058430?
You can request a quote for RefChem:1058430 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058430?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058430 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.