Theophylline, 8-propylthio-
TL;DR: Theophylline, 8-propylthio- (CAS 73908-84-6) is a chemical compound with molecular formula C10H14N4O2S and molecular weight 254.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-propylsulfanyl-7H-purine-2,6-dione
Also Known As: Theophylline, (8-propylthio)-, Theophylline, 8-propylthio-, 8-n-Propylthiotheophylline, 8-(N-Propylthio)theophylline, 8-(Propylthio)theophyline
| Molecular Formula | C10H14N4O2S |
|---|---|
| Molecular Weight | 254.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.08374 |
| Heavy Atoms | 17 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 73908-84-6 |
|---|---|
| SMILES | CCCSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C |
| InChIKey | RFPGEDDGVUAZQE-UHFFFAOYSA-N |
Product Overview
Theophylline, 8-propylthio- (CAS 73908-84-6), with molecular formula C10H14N4O2S and molecular weight 254.08 g/mol. IUPAC: 1,3-dimethyl-8-propylsulfanyl-7H-purine-2,6-dione.
Chemical Property Profile of Theophylline, 8-propylthio-
Property Insights of Theophylline, 8-propylthio-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 8-propylthio-. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 8-propylthio-. Following Lipinski's Rule of Five, Theophylline, 8-propylthio- 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, 8-propylthio-?
The CAS number of Theophylline, 8-propylthio- is 73908-84-6.
What is the molecular formula of Theophylline, 8-propylthio-?
The molecular formula of Theophylline, 8-propylthio- is C10H14N4O2S.
What is the molecular weight of Theophylline, 8-propylthio-?
The molecular weight of Theophylline, 8-propylthio- is 254.08 g/mol.
Where can I buy Theophylline, 8-propylthio-?
You can request a quote for Theophylline, 8-propylthio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 8-propylthio-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 8-propylthio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.