二羟丙茶碱
TL;DR: 二羟丙茶碱 (CAS 479-18-5) is a chemical compound with molecular formula C10H14N4O4 and molecular weight 254.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二羟丙茶碱
7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: dyphylline, Diprophylline, Diphylline, Lufyllin, Diprophyllin
| Molecular Formula | C10H14N4O4 |
|---|---|
| Molecular Weight | 254.10 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 98.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.1015 |
| Heavy Atoms | 18 |
| Complexity | 364.0 |
| Melting Point | 155-157 |
| Solubility | 333000 |
Chemical Identifiers
| CAS Number | 479-18-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O |
| InChIKey | KSCFJBIXMNOVSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二羟丙茶碱 (CAS 479-18-5), with molecular formula C10H14N4O4 and molecular weight 254.10 g/mol. IUPAC: 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 二羟丙茶碱
Property Insights of 二羟丙茶碱
The XLogP value of -1.8 indicates that 二羟丙茶碱 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 二羟丙茶碱. Following Lipinski's Rule of Five, 二羟丙茶碱 has 2 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 二羟丙茶碱?
The CAS number of 二羟丙茶碱 is 479-18-5.
What is the molecular formula of 二羟丙茶碱?
The molecular formula of 二羟丙茶碱 is C10H14N4O4.
What is the molecular weight of 二羟丙茶碱?
The molecular weight of 二羟丙茶碱 is 254.10 g/mol.
Where can I buy 二羟丙茶碱?
You can request a quote for 二羟丙茶碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二羟丙茶碱?
Yes, KEHONG BIO provides custom synthesis services for 二羟丙茶碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.