7-(2,3-bis((2-chloro-6-fluorobenzyl)oxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2,3-bis((2-chloro-6-fluorobenzyl)oxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 359712-78-0) is a chemical compound with molecular formula C24H22Cl2F2N4O4 and molecular weight 538.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2,3-bis[(2-chloro-6-fluorophenyl)methoxy]propyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(2,3-bis((2-chloro-6-fluorobenzyl)oxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[2,3-bis[(2-chloro-6-fluoro-phenyl)methoxy]propyl]-1,3-dimethyl-purine-2,6-dione, 7-[2,3-bis[(2-chloro-6-fluorophenyl)methoxy]propyl]-1,3-dimethylpurine-2,6-dione, 7-{2,3-bis[(2-chloro-6-fluorobenzyl)oxy]propyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C24H22Cl2F2N4O4 |
|---|---|
| Molecular Weight | 538.10 g/mol |
| LogP | 3.8209 |
| Topological Polar Surface Area | 80.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 538.09863 |
| Heavy Atoms | 36 |
| Complexity | 1492.8081 |
Chemical Identifiers
| CAS Number | 359712-78-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COCC3=C(C=CC=C3Cl)F)OCC4=C(C=CC=C4Cl)F |
Product Overview
7-(2,3-bis((2-chloro-6-fluorobenzyl)oxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 359712-78-0), with molecular formula C24H22Cl2F2N4O4 and molecular weight 538.10 g/mol. IUPAC: 7-[2,3-bis[(2-chloro-6-fluorophenyl)methoxy]propyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(2,3-bis((2-chloro-6-fluorobenzyl)oxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2,3-bis((2-chloro-6-fluorobenzyl)oxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.8209 indicates that 7-(2,3-bis((2-chloro-6-fluorobenzyl)oxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2,3-bis((2-chloro-6-fluorobenzyl)oxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2,3-bis((2-chloro-6-fluorobenzyl)oxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(2,3-bis((2-chloro-6-fluorobenzyl)oxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2,3-bis((2-chloro-6-fluorobenzyl)oxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 359712-78-0.
What is the molecular formula of 7-(2,3-bis((2-chloro-6-fluorobenzyl)oxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2,3-bis((2-chloro-6-fluorobenzyl)oxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C24H22Cl2F2N4O4.
What is the molecular weight of 7-(2,3-bis((2-chloro-6-fluorobenzyl)oxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2,3-bis((2-chloro-6-fluorobenzyl)oxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 538.10 g/mol.
Where can I buy 7-(2,3-bis((2-chloro-6-fluorobenzyl)oxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2,3-bis((2-chloro-6-fluorobenzyl)oxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(2,3-bis((2-chloro-6-fluorobenzyl)oxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2,3-bis((2-chloro-6-fluorobenzyl)oxy)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.