Ethyl 5-amino-6-cyano-4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylate
TL;DR: Ethyl 5-amino-6-cyano-4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylate (CAS 123542-49-4) is a chemical compound with molecular formula C18H14N4O3 and molecular weight 334.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-6-cyano-4-oxo-3-phenylphthalazine-1-carboxylate
Also Known As: AI-031/31969031, Ethyl 5-amino-6-cyano-3,4-dihydro-4-oxo-3-phenyl-1-phthalazinecarboxylate, ethyl 5-amino-6-cyano-4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylate, ethyl 5-amino-6-cyano-4-oxo-3-phenylphthalazine-1-carboxylate, ethyl 5-amino-6-cyano-4-oxo-3-phenyl-3,4-dihydro-1-phthalazinecarboxylate
| Molecular Formula | C18H14N4O3 |
|---|---|
| Molecular Weight | 334.11 g/mol |
| LogP | 2.01628 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.1066 |
| Heavy Atoms | 25 |
| Complexity | 1065.6018 |
Chemical Identifiers
| CAS Number | 123542-49-4 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C2=C1C=CC(=C2N)C#N)C3=CC=CC=C3 |
Product Overview
Ethyl 5-amino-6-cyano-4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylate (CAS 123542-49-4), with molecular formula C18H14N4O3 and molecular weight 334.11 g/mol. IUPAC: ethyl 5-amino-6-cyano-4-oxo-3-phenylphthalazine-1-carboxylate.
Chemical Property Profile of Ethyl 5-amino-6-cyano-4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylate
Property Insights of Ethyl 5-amino-6-cyano-4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylate
The XLogP value of 2.01628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-amino-6-cyano-4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylate. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-6-cyano-4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-amino-6-cyano-4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylate has 1 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 5-amino-6-cyano-4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylate?
The CAS number of Ethyl 5-amino-6-cyano-4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylate is 123542-49-4.
What is the molecular formula of Ethyl 5-amino-6-cyano-4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylate?
The molecular formula of Ethyl 5-amino-6-cyano-4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylate is C18H14N4O3.
What is the molecular weight of Ethyl 5-amino-6-cyano-4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylate?
The molecular weight of Ethyl 5-amino-6-cyano-4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylate is 334.11 g/mol.
Where can I buy Ethyl 5-amino-6-cyano-4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylate?
You can request a quote for Ethyl 5-amino-6-cyano-4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-amino-6-cyano-4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-amino-6-cyano-4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.