5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-5-methyl-6H-cyclop
TL;DR: 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-5-methyl-6H-cyclop (CAS 77937-06-5) is a chemical compound with molecular formula C17H18N4O5 and molecular weight 358.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-acetyl-8-cyano-5-methyl-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-5-methyl-6H-cyclop, Diethyl 4-acetyl-8-cyano-5-methyl-1,6,10-triazatricyclo[5.3.0.02,4]deca-5,7,9-triene-2,3-dicarboxylate, Diethyl 5a-acetyl-3-cyano-5-methyl-5a,6-dihydro-6aH-cyclopropa[e]pyrazolo[1,5-a]pyrimidine-6,6a-dicarboxylate
| Molecular Formula | C17H18N4O5 |
|---|---|
| Molecular Weight | 358.13 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.12772 |
| Heavy Atoms | 26 |
| Complexity | 755.0 |
Chemical Identifiers
| CAS Number | 77937-06-5 |
|---|---|
| SMILES | CCOC(=O)C1C2(C1(N3C(=C(C=N3)C#N)N=C2C)C(=O)OCC)C(=O)C |
| InChIKey | DVLYAPQMUIHJPA-UHFFFAOYSA-N |
Product Overview
5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-5-methyl-6H-cyclop (CAS 77937-06-5), with molecular formula C17H18N4O5 and molecular weight 358.13 g/mol. IUPAC: diethyl 4-acetyl-8-cyano-5-methyl-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-5-methyl-6H-cyclop
Property Insights of 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-5-methyl-6H-cyclop
The XLogP value of -0.2 indicates that 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-5-methyl-6H-cyclop 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-5-methyl-6H-cyclop. Following Lipinski's Rule of Five, 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-5-methyl-6H-cyclop 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-5-methyl-6H-cyclop?
The CAS number of 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-5-methyl-6H-cyclop is 77937-06-5.
What is the molecular formula of 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-5-methyl-6H-cyclop?
The molecular formula of 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-5-methyl-6H-cyclop is C17H18N4O5.
What is the molecular weight of 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-5-methyl-6H-cyclop?
The molecular weight of 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-5-methyl-6H-cyclop is 358.13 g/mol.
Where can I buy 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-5-methyl-6H-cyclop?
You can request a quote for 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-5-methyl-6H-cyclop 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-5-methyl-6H-cyclop?
Yes, KEHONG BIO provides custom synthesis services for 5a-acetyl-6,6a-dicarbethoxy-5a,6a-dihydro-5-methyl-6H-cyclop and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.