登布茶碱
TL;DR: 登布茶碱 (CAS 57076-71-8) is a chemical compound with molecular formula C16H24N4O3 and molecular weight 320.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
登布茶碱
1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione
Also Known As: denbufylline, Denbufilina, Denbufyllinum, Denbufilina [Spanish], Denbufyllinum [Latin]
| Molecular Formula | C16H24N4O3 |
|---|---|
| Molecular Weight | 320.18 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 320.18484 |
| Heavy Atoms | 23 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 57076-71-8 |
|---|---|
| SMILES | CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)CC(=O)C |
| InChIKey | HJPRDDKCXVCFOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
登布茶碱 (CAS 57076-71-8), with molecular formula C16H24N4O3 and molecular weight 320.18 g/mol. IUPAC: 1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione.
Chemical Property Profile of 登布茶碱
Property Insights of 登布茶碱
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 登布茶碱. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 登布茶碱. Following Lipinski's Rule of Five, 登布茶碱 has 0 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 登布茶碱?
The CAS number of 登布茶碱 is 57076-71-8.
What is the molecular formula of 登布茶碱?
The molecular formula of 登布茶碱 is C16H24N4O3.
What is the molecular weight of 登布茶碱?
The molecular weight of 登布茶碱 is 320.18 g/mol.
Where can I buy 登布茶碱?
You can request a quote for 登布茶碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 登布茶碱?
Yes, KEHONG BIO provides custom synthesis services for 登布茶碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.