羟丙茶碱
TL;DR: 羟丙茶碱 (CAS 603-00-9) is a chemical compound with molecular formula C10H14N4O3 and molecular weight 238.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
羟丙茶碱
7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: proxyphylline, Purophyllin, Spasmolysin, Brontyl, Proxiphylline
| Molecular Formula | C10H14N4O3 |
|---|---|
| Molecular Weight | 238.11 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.1066 |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
| Solubility | >35.7 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 603-00-9 |
|---|---|
| SMILES | CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O |
| InChIKey | KYHQZNGJUGFTGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
羟丙茶碱 (CAS 603-00-9), with molecular formula C10H14N4O3 and molecular weight 238.11 g/mol. IUPAC: 7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 羟丙茶碱
Property Insights of 羟丙茶碱
The XLogP value of -0.8 indicates that 羟丙茶碱 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 羟丙茶碱. Following Lipinski's Rule of Five, 羟丙茶碱 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 羟丙茶碱?
The CAS number of 羟丙茶碱 is 603-00-9.
What is the molecular formula of 羟丙茶碱?
The molecular formula of 羟丙茶碱 is C10H14N4O3.
What is the molecular weight of 羟丙茶碱?
The molecular weight of 羟丙茶碱 is 238.11 g/mol.
Where can I buy 羟丙茶碱?
You can request a quote for 羟丙茶碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 羟丙茶碱?
Yes, KEHONG BIO provides custom synthesis services for 羟丙茶碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.