3-benzyl-8-(chloromethyl)-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 3-benzyl-8-(chloromethyl)-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 848658-87-7) is a chemical compound with molecular formula C18H21ClN4O2 and molecular weight 360.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-8-(chloromethyl)-7-(3-methylbutyl)purine-2,6-dione
Also Known As: 3-benzyl-8-(chloromethyl)-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3-benzyl-8-(chloromethyl)-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione, 3-benzyl-8-(chloromethyl)-7-(3-methylbutyl)purine-2,6-dione, 3-benzyl-8-(chloromethyl)-7-(3-methylbutyl)-1H-purine-2,6-dione
| Molecular Formula | C18H21ClN4O2 |
|---|---|
| Molecular Weight | 360.14 g/mol |
| LogP | 2.7195 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.1353 |
| Heavy Atoms | 25 |
| Complexity | 985.9641 |
Chemical Identifiers
| CAS Number | 848658-87-7 |
|---|---|
| SMILES | CC(C)CCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CCl |
Product Overview
3-benzyl-8-(chloromethyl)-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 848658-87-7), with molecular formula C18H21ClN4O2 and molecular weight 360.14 g/mol. IUPAC: 3-benzyl-8-(chloromethyl)-7-(3-methylbutyl)purine-2,6-dione.
Chemical Property Profile of 3-benzyl-8-(chloromethyl)-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 3-benzyl-8-(chloromethyl)-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 2.7195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzyl-8-(chloromethyl)-7-(3-methylbutyl)-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-8-(chloromethyl)-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 3-benzyl-8-(chloromethyl)-7-(3-methylbutyl)-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-8-(chloromethyl)-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 3-benzyl-8-(chloromethyl)-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 848658-87-7.
What is the molecular formula of 3-benzyl-8-(chloromethyl)-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 3-benzyl-8-(chloromethyl)-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C18H21ClN4O2.
What is the molecular weight of 3-benzyl-8-(chloromethyl)-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 3-benzyl-8-(chloromethyl)-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 360.14 g/mol.
Where can I buy 3-benzyl-8-(chloromethyl)-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 3-benzyl-8-(chloromethyl)-7-(3-methylbutyl)-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-8-(chloromethyl)-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-8-(chloromethyl)-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.