1-(4-chlorobenzyl)-7-(2-hydroxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 1-(4-chlorobenzyl)-7-(2-hydroxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 327101-14-4) is a chemical compound with molecular formula C15H15ClN4O3 and molecular weight 334.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione
Also Known As: BAS 01118263, 1-[(4-chlorophenyl)methyl]-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione, 1-(4-Chloro-benzyl)-7-(2-hydroxy-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione, 1-(4-chlorobenzyl)-7-(2-hydroxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C15H15ClN4O3 |
|---|---|
| Molecular Weight | 334.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.08328 |
| Heavy Atoms | 23 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 327101-14-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C=N2)CCO |
| InChIKey | KWUMZKINMGVQKI-UHFFFAOYSA-N |
Product Overview
1-(4-chlorobenzyl)-7-(2-hydroxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 327101-14-4), with molecular formula C15H15ClN4O3 and molecular weight 334.08 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 1-(4-chlorobenzyl)-7-(2-hydroxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 1-(4-chlorobenzyl)-7-(2-hydroxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorobenzyl)-7-(2-hydroxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorobenzyl)-7-(2-hydroxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 1-(4-chlorobenzyl)-7-(2-hydroxyethyl)-3-methyl-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 1-(4-chlorobenzyl)-7-(2-hydroxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 1-(4-chlorobenzyl)-7-(2-hydroxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 327101-14-4.
What is the molecular formula of 1-(4-chlorobenzyl)-7-(2-hydroxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 1-(4-chlorobenzyl)-7-(2-hydroxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C15H15ClN4O3.
What is the molecular weight of 1-(4-chlorobenzyl)-7-(2-hydroxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 1-(4-chlorobenzyl)-7-(2-hydroxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 334.08 g/mol.
Where can I buy 1-(4-chlorobenzyl)-7-(2-hydroxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 1-(4-chlorobenzyl)-7-(2-hydroxyethyl)-3-methyl-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 1-(4-chlorobenzyl)-7-(2-hydroxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorobenzyl)-7-(2-hydroxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.