Ethyl 3-cyano-7-methyl-6-oxo-6H-pyrazolo(1,5-a)(1,3)diazepine-8-carboxylate
TL;DR: Ethyl 3-cyano-7-methyl-6-oxo-6H-pyrazolo(1,5-a)(1,3)diazepine-8-carboxylate (CAS 77936-97-1) is a chemical compound with molecular formula C12H10N4O3 and molecular weight 258.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyano-7-methyl-6-oxopyrazolo[1,5-a][1,3]diazepine-8-carboxylate
Also Known As: Ethyl 3-cyano-7-methyl-6-oxo-6H-pyrazolo(1,5-a)(1,3)diazepine-8-carboxylate, Ethyl 3-cyano-7-methyl-6-oxo-6H-pyrazolo[1,5-a][1,3]diazepine-8-carboxylate, ethyl 3-cyano-7-methyl-6-oxopyrazolo[1,5-a][1,3]diazepine-8-carboxylate, ethyl 3-cyano-7-methyl-6-oxopyrazolo[1,5-a][1,3]diazepine-8-, 8-carbethoxy-3-cyano-7-methyl-6H-pyrazolo<1,5-a><1,3>diazepin-6-one
| Molecular Formula | C12H10N4O3 |
|---|---|
| Molecular Weight | 258.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.0753 |
| Heavy Atoms | 19 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 77936-97-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)C=NC2=C(C=NN12)C#N)C |
| InChIKey | LKYFEMNLYPYDQF-UHFFFAOYSA-N |
Product Overview
Ethyl 3-cyano-7-methyl-6-oxo-6H-pyrazolo(1,5-a)(1,3)diazepine-8-carboxylate (CAS 77936-97-1), with molecular formula C12H10N4O3 and molecular weight 258.08 g/mol. IUPAC: ethyl 3-cyano-7-methyl-6-oxopyrazolo[1,5-a][1,3]diazepine-8-carboxylate.
Chemical Property Profile of Ethyl 3-cyano-7-methyl-6-oxo-6H-pyrazolo(1,5-a)(1,3)diazepine-8-carboxylate
Property Insights of Ethyl 3-cyano-7-methyl-6-oxo-6H-pyrazolo(1,5-a)(1,3)diazepine-8-carboxylate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-cyano-7-methyl-6-oxo-6H-pyrazolo(1,5-a)(1,3)diazepine-8-carboxylate. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-cyano-7-methyl-6-oxo-6H-pyrazolo(1,5-a)(1,3)diazepine-8-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-cyano-7-methyl-6-oxo-6H-pyrazolo(1,5-a)(1,3)diazepine-8-carboxylate has 0 hydrogen bond donor(s) and 6 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 Ethyl 3-cyano-7-methyl-6-oxo-6H-pyrazolo(1,5-a)(1,3)diazepine-8-carboxylate?
The CAS number of Ethyl 3-cyano-7-methyl-6-oxo-6H-pyrazolo(1,5-a)(1,3)diazepine-8-carboxylate is 77936-97-1.
What is the molecular formula of Ethyl 3-cyano-7-methyl-6-oxo-6H-pyrazolo(1,5-a)(1,3)diazepine-8-carboxylate?
The molecular formula of Ethyl 3-cyano-7-methyl-6-oxo-6H-pyrazolo(1,5-a)(1,3)diazepine-8-carboxylate is C12H10N4O3.
What is the molecular weight of Ethyl 3-cyano-7-methyl-6-oxo-6H-pyrazolo(1,5-a)(1,3)diazepine-8-carboxylate?
The molecular weight of Ethyl 3-cyano-7-methyl-6-oxo-6H-pyrazolo(1,5-a)(1,3)diazepine-8-carboxylate is 258.08 g/mol.
Where can I buy Ethyl 3-cyano-7-methyl-6-oxo-6H-pyrazolo(1,5-a)(1,3)diazepine-8-carboxylate?
You can request a quote for Ethyl 3-cyano-7-methyl-6-oxo-6H-pyrazolo(1,5-a)(1,3)diazepine-8-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-cyano-7-methyl-6-oxo-6H-pyrazolo(1,5-a)(1,3)diazepine-8-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-cyano-7-methyl-6-oxo-6H-pyrazolo(1,5-a)(1,3)diazepine-8-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.