![[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate structure](/static/products/3990/399002-41-6.webp)
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
TL;DR: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate (CAS 399002-41-6) is a chemical compound with molecular formula C19H16N4O3 and molecular weight 348.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
Also Known As: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate|2-[(2-Cyanoethyl)(phenyl)amino]-2-oxoethyl 1H-indazole-3-carboxylate|MLS002249369|SMR001316803
| Molecular Formula | C19H16N4O3 |
|---|---|
| Molecular Weight | 348.12 g/mol |
| LogP | 2.66658 |
| Topological Polar Surface Area | 99.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.12225 |
| Heavy Atoms | 26 |
| Complexity | 959.5796 |
Chemical Identifiers
| CAS Number | 399002-41-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=NNC3=CC=CC=C32 |
Product Overview
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate (CAS 399002-41-6), with molecular formula C19H16N4O3 and molecular weight 348.12 g/mol. IUPAC: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate.
Chemical Property Profile of [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
Property Insights of [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
The XLogP value of 2.66658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate. The TPSA of 99.08 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate. Following Lipinski's Rule of Five, [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate has 1 hydrogen bond donor(s) and 5 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 [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The CAS number of [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate is 399002-41-6.
What is the molecular formula of [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The molecular formula of [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate is C19H16N4O3.
What is the molecular weight of [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The molecular weight of [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate is 348.12 g/mol.
Where can I buy [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate?
You can request a quote for [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.