8-Cyclopropyltheophylline
TL;DR: 8-Cyclopropyltheophylline (CAS 35873-47-3) is a chemical compound with molecular formula C10H12N4O2 and molecular weight 220.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-cyclopropyl-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-Cyclopropyltheophylline, 8-Cyclopropyl theophylline, 8-Cyclopropyltheophyline, Theophylline, 8-cyclopropyl-, NCIOpen2_006837
| Molecular Formula | C10H12N4O2 |
|---|---|
| Molecular Weight | 220.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.09602 |
| Heavy Atoms | 16 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 35873-47-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3CC3 |
| InChIKey | SZMWFUBOZRDQPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Cyclopropyltheophylline (CAS 35873-47-3), with molecular formula C10H12N4O2 and molecular weight 220.10 g/mol. IUPAC: 8-cyclopropyl-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-Cyclopropyltheophylline
Property Insights of 8-Cyclopropyltheophylline
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Cyclopropyltheophylline. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Cyclopropyltheophylline. Following Lipinski's Rule of Five, 8-Cyclopropyltheophylline has 1 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 8-Cyclopropyltheophylline?
The CAS number of 8-Cyclopropyltheophylline is 35873-47-3.
What is the molecular formula of 8-Cyclopropyltheophylline?
The molecular formula of 8-Cyclopropyltheophylline is C10H12N4O2.
What is the molecular weight of 8-Cyclopropyltheophylline?
The molecular weight of 8-Cyclopropyltheophylline is 220.10 g/mol.
Where can I buy 8-Cyclopropyltheophylline?
You can request a quote for 8-Cyclopropyltheophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Cyclopropyltheophylline?
Yes, KEHONG BIO provides custom synthesis services for 8-Cyclopropyltheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.