8-chloro-1,3-dimethyl-7-(2-oxo-2-(p-tolyl)ethyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-chloro-1,3-dimethyl-7-(2-oxo-2-(p-tolyl)ethyl)-1H-purine-2,6(3H,7H)-dione (CAS 321981-03-7) is a chemical compound with molecular formula C16H15ClN4O3 and molecular weight 346.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]purine-2,6-dione
Also Known As: F0183-0116, 8-chloro-1,3-dimethyl-7-(2-oxo-2-(p-tolyl)ethyl)-1H-purine-2,6(3H,7H)-dione, 8-chloro-1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]purine-2,6-dione, 8-chloro-1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione, 8-chloro-1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxo-ethyl]purine-2,6-dione
| Molecular Formula | C16H15ClN4O3 |
|---|---|
| Molecular Weight | 346.08 g/mol |
| LogP | 1.27842 |
| Topological Polar Surface Area | 78.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.08328 |
| Heavy Atoms | 24 |
| Complexity | 1073.8712 |
Chemical Identifiers
| CAS Number | 321981-03-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C |
Product Overview
8-chloro-1,3-dimethyl-7-(2-oxo-2-(p-tolyl)ethyl)-1H-purine-2,6(3H,7H)-dione (CAS 321981-03-7), with molecular formula C16H15ClN4O3 and molecular weight 346.08 g/mol. IUPAC: 8-chloro-1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]purine-2,6-dione.
Chemical Property Profile of 8-chloro-1,3-dimethyl-7-(2-oxo-2-(p-tolyl)ethyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-chloro-1,3-dimethyl-7-(2-oxo-2-(p-tolyl)ethyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.27842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-chloro-1,3-dimethyl-7-(2-oxo-2-(p-tolyl)ethyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 78.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-chloro-1,3-dimethyl-7-(2-oxo-2-(p-tolyl)ethyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-chloro-1,3-dimethyl-7-(2-oxo-2-(p-tolyl)ethyl)-1H-purine-2,6(3H,7H)-dione has 0 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 8-chloro-1,3-dimethyl-7-(2-oxo-2-(p-tolyl)ethyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-chloro-1,3-dimethyl-7-(2-oxo-2-(p-tolyl)ethyl)-1H-purine-2,6(3H,7H)-dione is 321981-03-7.
What is the molecular formula of 8-chloro-1,3-dimethyl-7-(2-oxo-2-(p-tolyl)ethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-chloro-1,3-dimethyl-7-(2-oxo-2-(p-tolyl)ethyl)-1H-purine-2,6(3H,7H)-dione is C16H15ClN4O3.
What is the molecular weight of 8-chloro-1,3-dimethyl-7-(2-oxo-2-(p-tolyl)ethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-chloro-1,3-dimethyl-7-(2-oxo-2-(p-tolyl)ethyl)-1H-purine-2,6(3H,7H)-dione is 346.08 g/mol.
Where can I buy 8-chloro-1,3-dimethyl-7-(2-oxo-2-(p-tolyl)ethyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-chloro-1,3-dimethyl-7-(2-oxo-2-(p-tolyl)ethyl)-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 8-chloro-1,3-dimethyl-7-(2-oxo-2-(p-tolyl)ethyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-chloro-1,3-dimethyl-7-(2-oxo-2-(p-tolyl)ethyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.