Theophylline, 7-(2-(methylsulfinyl)ethyl)-
TL;DR: Theophylline, 7-(2-(methylsulfinyl)ethyl)- (CAS 3736-06-9) is a chemical compound with molecular formula C10H14N4O3S and molecular weight 270.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-(2-methylsulfinylethyl)purine-2,6-dione
Also Known As: T(sub 31), 7-(2-(Methylsulfinyl)ethyl)theophylline, Theophylline, 7-(2-(methylsulfinyl)ethyl)-, 1,3-dimethyl-7-(2-methylsulfinylethyl)purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(methylsulfinyl)ethyl)-
| Molecular Formula | C10H14N4O3S |
|---|---|
| Molecular Weight | 270.08 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.07867 |
| Heavy Atoms | 18 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 3736-06-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCS(=O)C |
| InChIKey | HNYORSFHUYNBPJ-UHFFFAOYSA-N |
Product Overview
Theophylline, 7-(2-(methylsulfinyl)ethyl)- (CAS 3736-06-9), with molecular formula C10H14N4O3S and molecular weight 270.08 g/mol. IUPAC: 1,3-dimethyl-7-(2-methylsulfinylethyl)purine-2,6-dione.
Chemical Property Profile of Theophylline, 7-(2-(methylsulfinyl)ethyl)-
Property Insights of Theophylline, 7-(2-(methylsulfinyl)ethyl)-
The XLogP value of -1.4 indicates that Theophylline, 7-(2-(methylsulfinyl)ethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(2-(methylsulfinyl)ethyl)-. Following Lipinski's Rule of Five, Theophylline, 7-(2-(methylsulfinyl)ethyl)- has 0 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, 7-(2-(methylsulfinyl)ethyl)-?
The CAS number of Theophylline, 7-(2-(methylsulfinyl)ethyl)- is 3736-06-9.
What is the molecular formula of Theophylline, 7-(2-(methylsulfinyl)ethyl)-?
The molecular formula of Theophylline, 7-(2-(methylsulfinyl)ethyl)- is C10H14N4O3S.
What is the molecular weight of Theophylline, 7-(2-(methylsulfinyl)ethyl)-?
The molecular weight of Theophylline, 7-(2-(methylsulfinyl)ethyl)- is 270.08 g/mol.
Where can I buy Theophylline, 7-(2-(methylsulfinyl)ethyl)-?
You can request a quote for Theophylline, 7-(2-(methylsulfinyl)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 7-(2-(methylsulfinyl)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(2-(methylsulfinyl)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.