1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-1,3-dimethyl-7-(2-methylphenyl)-
TL;DR: 1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-1,3-dimethyl-7-(2-methylphenyl)- (CAS 72898-72-7) is a chemical compound with molecular formula C14H13ClN4O2 and molecular weight 304.07 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-methylphenyl)purine-2,6-dione
Also Known As: Theophylline, 8-chloro-7-o-tolyl-, 5-26-14-00136 (Beilstein Handbook Reference), 1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-1,3-dimethyl-7-(2-methylphenyl)-, 3,7-Dihydro-8-chloro-1,3-dimethyl-7-(2-methylphenyl)-1H-purine-2,6-dione, 8-chloro-1,3-dimethyl-7-(2-methylphenyl)purine-2,6-dione
| Molecular Formula | C14H13ClN4O2 |
|---|---|
| Molecular Weight | 304.07 g/mol |
| LogP | 1.38472 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 304.0727 |
| Heavy Atoms | 21 |
| Complexity | 981.0283 |
Chemical Identifiers
| CAS Number | 72898-72-7 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C |
Product Overview
1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-1,3-dimethyl-7-(2-methylphenyl)- (CAS 72898-72-7), with molecular formula C14H13ClN4O2 and molecular weight 304.07 g/mol. IUPAC: 8-chloro-1,3-dimethyl-7-(2-methylphenyl)purine-2,6-dione.
Chemical Property Profile of 1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-1,3-dimethyl-7-(2-methylphenyl)-
Property Insights of 1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-1,3-dimethyl-7-(2-methylphenyl)-
The XLogP value of 1.38472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-1,3-dimethyl-7-(2-methylphenyl)-. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-1,3-dimethyl-7-(2-methylphenyl)-. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-1,3-dimethyl-7-(2-methylphenyl)- has 0 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 1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-1,3-dimethyl-7-(2-methylphenyl)-?
The CAS number of 1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-1,3-dimethyl-7-(2-methylphenyl)- is 72898-72-7.
What is the molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-1,3-dimethyl-7-(2-methylphenyl)-?
The molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-1,3-dimethyl-7-(2-methylphenyl)- is C14H13ClN4O2.
What is the molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-1,3-dimethyl-7-(2-methylphenyl)-?
The molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-1,3-dimethyl-7-(2-methylphenyl)- is 304.07 g/mol.
Where can I buy 1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-1,3-dimethyl-7-(2-methylphenyl)-?
You can request a quote for 1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-1,3-dimethyl-7-(2-methylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-1,3-dimethyl-7-(2-methylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-1,3-dimethyl-7-(2-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.