Theophylline, 8-(o-nitrobenzyl)-
TL;DR: Theophylline, 8-(o-nitrobenzyl)- (CAS 73908-81-3) is a chemical compound with molecular formula C14H13N5O4 and molecular weight 315.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-[(2-nitrophenyl)methyl]-7H-purine-2,6-dione
Also Known As: 8-(o-Nitrobenzyl)theophylline, Theophylline, 8-(o-nitrobenzyl)-, 8-(o-Nitrobenzyl)theophyline, 1,3-dimethyl-8-1h-purine-2,6 -dione, 1,3-Dimethyl-8- -1H-purine-2,6 -dione
| Molecular Formula | C14H13N5O4 |
|---|---|
| Molecular Weight | 315.10 g/mol |
| LogP | 0.4593 |
| Topological Polar Surface Area | 115.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.09674 |
| Heavy Atoms | 23 |
| Complexity | 1043.4828 |
Chemical Identifiers
| CAS Number | 73908-81-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
Theophylline, 8-(o-nitrobenzyl)- (CAS 73908-81-3), with molecular formula C14H13N5O4 and molecular weight 315.10 g/mol. IUPAC: 1,3-dimethyl-8-[(2-nitrophenyl)methyl]-7H-purine-2,6-dione.
Chemical Property Profile of Theophylline, 8-(o-nitrobenzyl)-
Property Insights of Theophylline, 8-(o-nitrobenzyl)-
The XLogP value of 0.4593 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 8-(o-nitrobenzyl)-. The TPSA of 115.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 8-(o-nitrobenzyl)-. Following Lipinski's Rule of Five, Theophylline, 8-(o-nitrobenzyl)- has 1 hydrogen bond donor(s) and 5 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, 8-(o-nitrobenzyl)-?
The CAS number of Theophylline, 8-(o-nitrobenzyl)- is 73908-81-3.
What is the molecular formula of Theophylline, 8-(o-nitrobenzyl)-?
The molecular formula of Theophylline, 8-(o-nitrobenzyl)- is C14H13N5O4.
What is the molecular weight of Theophylline, 8-(o-nitrobenzyl)-?
The molecular weight of Theophylline, 8-(o-nitrobenzyl)- is 315.10 g/mol.
Where can I buy Theophylline, 8-(o-nitrobenzyl)-?
You can request a quote for Theophylline, 8-(o-nitrobenzyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 8-(o-nitrobenzyl)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 8-(o-nitrobenzyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.