多索茶碱
TL;DR: 多索茶碱 (CAS 69975-86-6) is a chemical compound with molecular formula C11H14N4O4 and molecular weight 266.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
多索茶碱
7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione
Also Known As: DOXOFYLLINE, Doxophylline, Dioxyfilline, Ansimar, Ventax
| Molecular Formula | C11H14N4O4 |
|---|---|
| Molecular Weight | 266.10 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.1015 |
| Heavy Atoms | 19 |
| Complexity | 398.0 |
| Solubility | Insoluble |
Chemical Identifiers
| CAS Number | 69975-86-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3 |
| InChIKey | HWXIGFIVGWUZAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
多索茶碱 (CAS 69975-86-6), with molecular formula C11H14N4O4 and molecular weight 266.10 g/mol. IUPAC: 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 多索茶碱
Property Insights of 多索茶碱
The XLogP value of -0.9 indicates that 多索茶碱 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 多索茶碱. Following Lipinski's Rule of Five, 多索茶碱 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 多索茶碱?
The CAS number of 多索茶碱 is 69975-86-6.
What is the molecular formula of 多索茶碱?
The molecular formula of 多索茶碱 is C11H14N4O4.
What is the molecular weight of 多索茶碱?
The molecular weight of 多索茶碱 is 266.10 g/mol.
Where can I buy 多索茶碱?
You can request a quote for 多索茶碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 多索茶碱?
Yes, KEHONG BIO provides custom synthesis services for 多索茶碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.