己酮可可碱
TL;DR: 己酮可可碱 (CAS 6493-05-6) is a chemical compound with molecular formula C13H18N4O3 and molecular weight 278.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己酮可可碱
3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione
Also Known As: pentoxifylline, Trental, Oxpentifylline, Pentoxil, Pentoxifyllin
| Molecular Formula | C13H18N4O3 |
|---|---|
| Molecular Weight | 278.14 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.13788 |
| Heavy Atoms | 20 |
| Complexity | 426.0 |
| Melting Point | 105 |
| Solubility | 77000 |
Chemical Identifiers
| CAS Number | 6493-05-6 |
|---|---|
| SMILES | CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C |
| InChIKey | BYPFEZZEUUWMEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己酮可可碱 (CAS 6493-05-6), with molecular formula C13H18N4O3 and molecular weight 278.14 g/mol. IUPAC: 3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione.
Chemical Property Profile of 己酮可可碱
Property Insights of 己酮可可碱
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 己酮可可碱. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 己酮可可碱. Following Lipinski's Rule of Five, 己酮可可碱 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 己酮可可碱?
The CAS number of 己酮可可碱 is 6493-05-6.
What is the molecular formula of 己酮可可碱?
The molecular formula of 己酮可可碱 is C13H18N4O3.
What is the molecular weight of 己酮可可碱?
The molecular weight of 己酮可可碱 is 278.14 g/mol.
Where can I buy 己酮可可碱?
You can request a quote for 己酮可可碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己酮可可碱?
Yes, KEHONG BIO provides custom synthesis services for 己酮可可碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.