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[2-(3-acetylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
TL;DR: [2-(3-acetylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate (CAS 399009-84-8) is a chemical compound with molecular formula C18H15N3O4 and molecular weight 337.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-acetylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
Also Known As: [2-(3-acetylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate|2-(3-Acetylanilino)-2-oxoethyl 1H-indazole-3-carboxylate|MLS001007477|SMR000352652
| Molecular Formula | C18H15N3O4 |
|---|---|
| Molecular Weight | 337.11 g/mol |
| LogP | 2.561 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.10626 |
| Heavy Atoms | 25 |
| Complexity | 961.6194 |
Chemical Identifiers
| CAS Number | 399009-84-8 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=NNC3=CC=CC=C32 |
Product Overview
[2-(3-acetylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate (CAS 399009-84-8), with molecular formula C18H15N3O4 and molecular weight 337.11 g/mol. IUPAC: [2-(3-acetylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate.
Chemical Property Profile of [2-(3-acetylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
Property Insights of [2-(3-acetylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
The XLogP value of 2.561 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(3-acetylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(3-acetylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate. Following Lipinski's Rule of Five, [2-(3-acetylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate has 2 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-(3-acetylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The CAS number of [2-(3-acetylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate is 399009-84-8.
What is the molecular formula of [2-(3-acetylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The molecular formula of [2-(3-acetylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate is C18H15N3O4.
What is the molecular weight of [2-(3-acetylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The molecular weight of [2-(3-acetylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate is 337.11 g/mol.
Where can I buy [2-(3-acetylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate?
You can request a quote for [2-(3-acetylanilino)-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-(3-acetylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-(3-acetylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.