5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-6H-cyclopropapyraz
TL;DR: 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-6H-cyclopropapyraz (CAS 77936-93-7) is a chemical compound with molecular formula C16H16N4O5 and molecular weight 344.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-acetyl-8-cyano-1,6,10-triazatricyclo[5.3.0.02,4]deca-5,7,9-triene-2,3-dicarboxylate
Also Known As: 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-6H-cyclopropapyraz, Diethyl 4-acetyl-8-cyano-1,6,10-triazatricyclo[5.3.0.02,4]deca-5,7,9-triene-2,3-dicarboxylate, Diethyl 5a-acetyl-3-cyano-5a,6-dihydro-6aH-cyclopropa[e]pyrazolo[1,5-a]pyrimidine-6,6a-dicarboxylate
| Molecular Formula | C16H16N4O5 |
|---|---|
| Molecular Weight | 344.11 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 344.11206 |
| Heavy Atoms | 25 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 77936-93-7 |
|---|---|
| SMILES | CCOC(=O)C1C2(C1(N3C(=C(C=N3)C#N)N=C2)C(=O)OCC)C(=O)C |
| InChIKey | NRNXBRHPBUYTMC-UHFFFAOYSA-N |
Product Overview
5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-6H-cyclopropapyraz (CAS 77936-93-7), with molecular formula C16H16N4O5 and molecular weight 344.11 g/mol. IUPAC: diethyl 4-acetyl-8-cyano-1,6,10-triazatricyclo[5.3.0.02,4]deca-5,7,9-triene-2,3-dicarboxylate.
Chemical Property Profile of 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-6H-cyclopropapyraz
Property Insights of 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-6H-cyclopropapyraz
The XLogP value of -0.5 indicates that 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-6H-cyclopropapyraz is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-6H-cyclopropapyraz. Following Lipinski's Rule of Five, 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-6H-cyclopropapyraz has 0 hydrogen bond donor(s) and 8 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 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-6H-cyclopropapyraz?
The CAS number of 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-6H-cyclopropapyraz is 77936-93-7.
What is the molecular formula of 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-6H-cyclopropapyraz?
The molecular formula of 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-6H-cyclopropapyraz is C16H16N4O5.
What is the molecular weight of 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-6H-cyclopropapyraz?
The molecular weight of 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-6H-cyclopropapyraz is 344.11 g/mol.
Where can I buy 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-6H-cyclopropapyraz?
You can request a quote for 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-6H-cyclopropapyraz directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-6H-cyclopropapyraz?
Yes, KEHONG BIO provides custom synthesis services for 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-6H-cyclopropapyraz and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.