7-(2-Chlorobenzyl)-8-((2-furylmethyl)amino)-3-ME-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(2-Chlorobenzyl)-8-((2-furylmethyl)amino)-3-ME-3,7-dihydro-1H-purine-2,6-dione (CAS 476482-05-0) is a chemical compound with molecular formula C18H16ClN5O3 and molecular weight 385.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-8-(furan-2-ylmethylamino)-3-methylpurine-2,6-dione
Also Known As: BAS 05968896, 7-(2-chlorobenzyl)-8-((furan-2-ylmethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[(2-chlorophenyl)methyl]-8-(furan-2-ylmethylamino)-3-methylpurine-2,6-dione, 7-(2-chlorobenzyl)-8-(2-furfurylamino)-3-methyl-xanthine, 7-[(2-chlorophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C18H16ClN5O3 |
|---|---|
| Molecular Weight | 385.09 g/mol |
| LogP | 2.3301 |
| Topological Polar Surface Area | 97.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.09418 |
| Heavy Atoms | 27 |
| Complexity | 1220.25 |
Chemical Identifiers
| CAS Number | 476482-05-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CC4=CC=CC=C4Cl |
Product Overview
7-(2-Chlorobenzyl)-8-((2-furylmethyl)amino)-3-ME-3,7-dihydro-1H-purine-2,6-dione (CAS 476482-05-0), with molecular formula C18H16ClN5O3 and molecular weight 385.09 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-8-(furan-2-ylmethylamino)-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(2-Chlorobenzyl)-8-((2-furylmethyl)amino)-3-ME-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(2-Chlorobenzyl)-8-((2-furylmethyl)amino)-3-ME-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.3301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-Chlorobenzyl)-8-((2-furylmethyl)amino)-3-ME-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 97.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-Chlorobenzyl)-8-((2-furylmethyl)amino)-3-ME-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(2-Chlorobenzyl)-8-((2-furylmethyl)amino)-3-ME-3,7-dihydro-1H-purine-2,6-dione has 2 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 7-(2-Chlorobenzyl)-8-((2-furylmethyl)amino)-3-ME-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(2-Chlorobenzyl)-8-((2-furylmethyl)amino)-3-ME-3,7-dihydro-1H-purine-2,6-dione is 476482-05-0.
What is the molecular formula of 7-(2-Chlorobenzyl)-8-((2-furylmethyl)amino)-3-ME-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(2-Chlorobenzyl)-8-((2-furylmethyl)amino)-3-ME-3,7-dihydro-1H-purine-2,6-dione is C18H16ClN5O3.
What is the molecular weight of 7-(2-Chlorobenzyl)-8-((2-furylmethyl)amino)-3-ME-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(2-Chlorobenzyl)-8-((2-furylmethyl)amino)-3-ME-3,7-dihydro-1H-purine-2,6-dione is 385.09 g/mol.
Where can I buy 7-(2-Chlorobenzyl)-8-((2-furylmethyl)amino)-3-ME-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(2-Chlorobenzyl)-8-((2-furylmethyl)amino)-3-ME-3,7-dihydro-1H-purine-2,6-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-Chlorobenzyl)-8-((2-furylmethyl)amino)-3-ME-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-Chlorobenzyl)-8-((2-furylmethyl)amino)-3-ME-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.