Theophylline, 7-(4-amino-o-tolyl)-8-chloro-
TL;DR: Theophylline, 7-(4-amino-o-tolyl)-8-chloro- (CAS 72898-68-1) is a chemical compound with molecular formula C14H14ClN5O2 and molecular weight 319.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-amino-2-methylphenyl)-8-chloro-1,3-dimethylpurine-2,6-dione
Also Known As: Theophylline, 7-(4-amino-o-tolyl)-8-chloro-, 5-26-14-00138 (Beilstein Handbook Reference), 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-amino-2-methylphenyl)-8-chloro-1,3-dimethyl-, 3,7-Dihydro-7-(4-amino-2-methylphenyl)-8-chloro-1,3-dimethyl-1H-purine-2,6-dione, 7-(4-amino-2-methylphenyl)-8-chloro-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C14H14ClN5O2 |
|---|---|
| Molecular Weight | 319.08 g/mol |
| LogP | 0.96692 |
| Topological Polar Surface Area | 87.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.0836 |
| Heavy Atoms | 22 |
| Complexity | 1028.36 |
Chemical Identifiers
| CAS Number | 72898-68-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N)N2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C |
Product Overview
Theophylline, 7-(4-amino-o-tolyl)-8-chloro- (CAS 72898-68-1), with molecular formula C14H14ClN5O2 and molecular weight 319.08 g/mol. IUPAC: 7-(4-amino-2-methylphenyl)-8-chloro-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of Theophylline, 7-(4-amino-o-tolyl)-8-chloro-
Property Insights of Theophylline, 7-(4-amino-o-tolyl)-8-chloro-
The XLogP value of 0.96692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 7-(4-amino-o-tolyl)-8-chloro-. The TPSA of 87.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(4-amino-o-tolyl)-8-chloro-. Following Lipinski's Rule of Five, Theophylline, 7-(4-amino-o-tolyl)-8-chloro- 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 Theophylline, 7-(4-amino-o-tolyl)-8-chloro-?
The CAS number of Theophylline, 7-(4-amino-o-tolyl)-8-chloro- is 72898-68-1.
What is the molecular formula of Theophylline, 7-(4-amino-o-tolyl)-8-chloro-?
The molecular formula of Theophylline, 7-(4-amino-o-tolyl)-8-chloro- is C14H14ClN5O2.
What is the molecular weight of Theophylline, 7-(4-amino-o-tolyl)-8-chloro-?
The molecular weight of Theophylline, 7-(4-amino-o-tolyl)-8-chloro- is 319.08 g/mol.
Where can I buy Theophylline, 7-(4-amino-o-tolyl)-8-chloro-?
You can request a quote for Theophylline, 7-(4-amino-o-tolyl)-8-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 7-(4-amino-o-tolyl)-8-chloro-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(4-amino-o-tolyl)-8-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.