RefChem:316263
TL;DR: RefChem:316263 (CAS 54504-72-2) is a chemical compound with molecular formula C26H24Cl2N4O8 and molecular weight 590.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2-(4-chlorophenoxy)acetyl]oxy-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl] 2-(4-chlorophenoxy)acetate
Also Known As: 1-(7-Theophyllinyl)-2,3-propylidene di(p-chlorophenoxyacetate), Acetic acid, (4-chlorophenoxy)-, 1-((1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl)-1,2-ethanediyl ester, [2-[2-(4-chlorophenoxy)acetyl]oxy-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl] 2-(4-chlorophenoxy)acetate, 3-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propane-1,2-diyl bis[(4-chlorophenoxy)acetate], BRN 1207828
| Molecular Formula | C26H24Cl2N4O8 |
|---|---|
| Molecular Weight | 590.10 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 590.0971 |
| Heavy Atoms | 40 |
| Complexity | 913.0 |
Chemical Identifiers
| CAS Number | 54504-72-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COC(=O)COC3=CC=C(C=C3)Cl)OC(=O)COC4=CC=C(C=C4)Cl |
| InChIKey | MASPOVFZXOCNOE-UHFFFAOYSA-N |
Product Overview
RefChem:316263 (CAS 54504-72-2), with molecular formula C26H24Cl2N4O8 and molecular weight 590.10 g/mol. IUPAC: [2-[2-(4-chlorophenoxy)acetyl]oxy-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl] 2-(4-chlorophenoxy)acetate.
Chemical Property Profile of RefChem:316263
Property Insights of RefChem:316263
The XLogP value of 4.0 indicates that RefChem:316263 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:316263. Following Lipinski's Rule of Five, RefChem:316263 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:316263?
The CAS number of RefChem:316263 is 54504-72-2.
What is the molecular formula of RefChem:316263?
The molecular formula of RefChem:316263 is C26H24Cl2N4O8.
What is the molecular weight of RefChem:316263?
The molecular weight of RefChem:316263 is 590.10 g/mol.
Where can I buy RefChem:316263?
You can request a quote for RefChem:316263 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316263?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316263 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.