diketopyridino-21-crown-7
TL;DR: diketopyridino-21-crown-7 (CAS 68436-52-2) is a chemical compound with molecular formula C17H23NO8 and molecular weight 369.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6,9,12,15,18-hexaoxa-24-azabicyclo[18.3.1]tetracosa-1(24),20,22-triene-2,19-dione
Also Known As: diketopyridino-21-crown-7, 3,6,9,12,15,18-hexaoxa-24-azabicyclo[18.3.1]tetracosa-1(24),20,22-triene-2,19-dione, 3,6,9,12,15,18-hexaoxa-24-azabicyclo[18.3.1]tetracosa-1(24),
| Molecular Formula | C17H23NO8 |
|---|---|
| Molecular Weight | 369.14 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 369.14236 |
| Heavy Atoms | 26 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 68436-52-2 |
|---|---|
| SMILES | C1COCCOCCOC(=O)C2=CC=CC(=N2)C(=O)OCCOCCO1 |
| InChIKey | AMPARQYNARQIJH-UHFFFAOYSA-N |
Product Overview
diketopyridino-21-crown-7 (CAS 68436-52-2), with molecular formula C17H23NO8 and molecular weight 369.14 g/mol. IUPAC: 3,6,9,12,15,18-hexaoxa-24-azabicyclo[18.3.1]tetracosa-1(24),20,22-triene-2,19-dione.
Chemical Property Profile of diketopyridino-21-crown-7
Property Insights of diketopyridino-21-crown-7
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diketopyridino-21-crown-7. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for diketopyridino-21-crown-7. Following Lipinski's Rule of Five, diketopyridino-21-crown-7 has 0 hydrogen bond donor(s) and 9 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 diketopyridino-21-crown-7?
The CAS number of diketopyridino-21-crown-7 is 68436-52-2.
What is the molecular formula of diketopyridino-21-crown-7?
The molecular formula of diketopyridino-21-crown-7 is C17H23NO8.
What is the molecular weight of diketopyridino-21-crown-7?
The molecular weight of diketopyridino-21-crown-7 is 369.14 g/mol.
Where can I buy diketopyridino-21-crown-7?
You can request a quote for diketopyridino-21-crown-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diketopyridino-21-crown-7?
Yes, KEHONG BIO provides custom synthesis services for diketopyridino-21-crown-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.