3-benzyl-7-butyl-8-(chloromethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 3-benzyl-7-butyl-8-(chloromethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 848658-76-4) is a chemical compound with molecular formula C17H19ClN4O2 and molecular weight 346.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-7-butyl-8-(chloromethyl)purine-2,6-dione
Also Known As: 3-benzyl-7-butyl-8-(chloromethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3-benzyl-7-butyl-8-(chloromethyl)-3,7-dihydro-1H-purine-2,6-dione, 3-benzyl-7-butyl-8-(chloromethyl)purine-2,6-dione, 3-BENZYL-7-BUTYL-8-(CHLOROMETHYL)-1H-PURINE-2,6-DIONE, 7-Butyl-8-(chloromethyl)-3,7-dihydro-3-(phenylmethyl)-1H-purine-2,6-dione
| Molecular Formula | C17H19ClN4O2 |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 2.4735 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.11966 |
| Heavy Atoms | 24 |
| Complexity | 956.3664 |
Chemical Identifiers
| CAS Number | 848658-76-4 |
|---|---|
| SMILES | CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CCl |
Product Overview
3-benzyl-7-butyl-8-(chloromethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 848658-76-4), with molecular formula C17H19ClN4O2 and molecular weight 346.12 g/mol. IUPAC: 3-benzyl-7-butyl-8-(chloromethyl)purine-2,6-dione.
Chemical Property Profile of 3-benzyl-7-butyl-8-(chloromethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 3-benzyl-7-butyl-8-(chloromethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 2.4735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzyl-7-butyl-8-(chloromethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-7-butyl-8-(chloromethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 3-benzyl-7-butyl-8-(chloromethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione 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 3-benzyl-7-butyl-8-(chloromethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 3-benzyl-7-butyl-8-(chloromethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 848658-76-4.
What is the molecular formula of 3-benzyl-7-butyl-8-(chloromethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 3-benzyl-7-butyl-8-(chloromethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C17H19ClN4O2.
What is the molecular weight of 3-benzyl-7-butyl-8-(chloromethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 3-benzyl-7-butyl-8-(chloromethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 346.12 g/mol.
Where can I buy 3-benzyl-7-butyl-8-(chloromethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 3-benzyl-7-butyl-8-(chloromethyl)-2,3,6,7-tetrahydro-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 3-benzyl-7-butyl-8-(chloromethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-7-butyl-8-(chloromethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.