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[2-(1H-indol-3-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
TL;DR: [2-(1H-indol-3-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate (CAS 735288-80-9) is a chemical compound with molecular formula C20H15N3O4 and molecular weight 361.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1H-indol-3-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
Also Known As: [2-(1H-indol-3-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate|2-(1H-indol-3-yl)-2-oxoethyl 4-(2-cyanoacetamido)benzoate|MLS002252251|SMR001314599
| Molecular Formula | C20H15N3O4 |
|---|---|
| Molecular Weight | 361.11 g/mol |
| LogP | 3.05978 |
| Topological Polar Surface Area | 112.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.10626 |
| Heavy Atoms | 27 |
| Complexity | 1045.0242 |
Chemical Identifiers
| CAS Number | 735288-80-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N |
Product Overview
[2-(1H-indol-3-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate (CAS 735288-80-9), with molecular formula C20H15N3O4 and molecular weight 361.11 g/mol. IUPAC: [2-(1H-indol-3-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate.
Chemical Property Profile of [2-(1H-indol-3-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
Property Insights of [2-(1H-indol-3-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
The XLogP value of 3.05978 indicates that [2-(1H-indol-3-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.05 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(1H-indol-3-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate. Following Lipinski's Rule of Five, [2-(1H-indol-3-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate 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-(1H-indol-3-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate?
The CAS number of [2-(1H-indol-3-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate is 735288-80-9.
What is the molecular formula of [2-(1H-indol-3-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate?
The molecular formula of [2-(1H-indol-3-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate is C20H15N3O4.
What is the molecular weight of [2-(1H-indol-3-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate?
The molecular weight of [2-(1H-indol-3-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate is 361.11 g/mol.
Where can I buy [2-(1H-indol-3-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate?
You can request a quote for [2-(1H-indol-3-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(1H-indol-3-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(1H-indol-3-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.