7-(2-chlorobenzyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-chlorobenzyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 361174-79-0) is a chemical compound with molecular formula C17H18ClN5O2 and molecular weight 359.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: BAS 02927551, UPCMLD0ENAT5730468:001, 7-(2-chlorobenzyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione, F0886-0042, 7-[(2-chlorophenyl)methyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
| Molecular Formula | C17H18ClN5O2 |
|---|---|
| Molecular Weight | 359.11 g/mol |
| LogP | 1.7252 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.1149 |
| Heavy Atoms | 25 |
| Complexity | 1059.0659 |
Chemical Identifiers
| CAS Number | 361174-79-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC4=CC=CC=C4Cl |
Product Overview
7-(2-chlorobenzyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 361174-79-0), with molecular formula C17H18ClN5O2 and molecular weight 359.11 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of 7-(2-chlorobenzyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-chlorobenzyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.7252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-chlorobenzyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-chlorobenzyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-chlorobenzyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 4 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)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-chlorobenzyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione is 361174-79-0.
What is the molecular formula of 7-(2-chlorobenzyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-chlorobenzyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione is C17H18ClN5O2.
What is the molecular weight of 7-(2-chlorobenzyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-chlorobenzyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione is 359.11 g/mol.
Where can I buy 7-(2-chlorobenzyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-chlorobenzyl)-3-methyl-8-(pyrrolidin-1-yl)-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-chlorobenzyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-chlorobenzyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.