RefChem:1066362
TL;DR: RefChem:1066362 (CAS 4269-17-4) is a chemical compound with molecular formula C14H14Cl4N4O6 and molecular weight 473.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,2-dichloroacetyl)oxy-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl] 2,2-dichloroacetate
Also Known As: 3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)propane-1,2-diyl bis(dichloroacetate), Diester dichloro acetique de 7-(2,3-dihydroxypropyl)theophylline [French], Diester dichloro acetique de 7-(2,3-dihydroxypropyl)theophylline, Acetic acid, dichloro-, 1-((1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)methyl)-1,2-ethanediyl ester, [2-(2,2-dichloroacetyl)oxy-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl] 2,2-dichloroacetate
| Molecular Formula | C14H14Cl4N4O6 |
|---|---|
| Molecular Weight | 473.97 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 473.96674 |
| Heavy Atoms | 28 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 4269-17-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COC(=O)C(Cl)Cl)OC(=O)C(Cl)Cl |
| InChIKey | UUTRAUFTUNNPCG-UHFFFAOYSA-N |
Product Overview
RefChem:1066362 (CAS 4269-17-4), with molecular formula C14H14Cl4N4O6 and molecular weight 473.97 g/mol. IUPAC: [2-(2,2-dichloroacetyl)oxy-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl] 2,2-dichloroacetate.
Chemical Property Profile of RefChem:1066362
Property Insights of RefChem:1066362
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1066362. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1066362. Following Lipinski's Rule of Five, RefChem:1066362 has 0 hydrogen bond donor(s) and 7 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:1066362?
The CAS number of RefChem:1066362 is 4269-17-4.
What is the molecular formula of RefChem:1066362?
The molecular formula of RefChem:1066362 is C14H14Cl4N4O6.
What is the molecular weight of RefChem:1066362?
The molecular weight of RefChem:1066362 is 473.97 g/mol.
Where can I buy RefChem:1066362?
You can request a quote for RefChem:1066362 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066362?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066362 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.