2-(1H-Indol-3-yl)-2-oxoethyl 4-chlorobenzoate
TL;DR: 2-(1H-Indol-3-yl)-2-oxoethyl 4-chlorobenzoate (CAS 5471-57-8) is a chemical compound with molecular formula C17H12ClNO3 and molecular weight 313.05 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-chlorobenzoate
Also Known As: 2-(1H-Indol-3-yl)-2-oxoethyl 4-chlorobenzoate, 5-21-12-00354 (Beilstein Handbook Reference), 4-Chlorobenzoic acid 2-(1H-indol-3-yl)-2-oxoethyl ester, Benzoic acid, 4-chloro-, 2-(1H-indol-3-yl)-2-oxoethyl ester, [2-(1H-indol-3-yl)-2-oxoethyl] 4-chlorobenzoate
| Molecular Formula | C17H12ClNO3 |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.05057 |
| Heavy Atoms | 22 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 5471-57-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C(=O)COC(=O)C3=CC=C(C=C3)Cl |
| InChIKey | NJZLCDYWZQEFBS-UHFFFAOYSA-N |
Product Overview
2-(1H-Indol-3-yl)-2-oxoethyl 4-chlorobenzoate (CAS 5471-57-8), with molecular formula C17H12ClNO3 and molecular weight 313.05 g/mol. IUPAC: [2-(1H-indol-3-yl)-2-oxoethyl] 4-chlorobenzoate.
Chemical Property Profile of 2-(1H-Indol-3-yl)-2-oxoethyl 4-chlorobenzoate
Property Insights of 2-(1H-Indol-3-yl)-2-oxoethyl 4-chlorobenzoate
The XLogP value of 4.3 indicates that 2-(1H-Indol-3-yl)-2-oxoethyl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.2 Ų, 2-(1H-Indol-3-yl)-2-oxoethyl 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-Indol-3-yl)-2-oxoethyl 4-chlorobenzoate has 1 hydrogen bond donor(s) and 3 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-chlorobenzoate?
The CAS number of 2-(1H-Indol-3-yl)-2-oxoethyl 4-chlorobenzoate is 5471-57-8.
What is the molecular formula of 2-(1H-Indol-3-yl)-2-oxoethyl 4-chlorobenzoate?
The molecular formula of 2-(1H-Indol-3-yl)-2-oxoethyl 4-chlorobenzoate is C17H12ClNO3.
What is the molecular weight of 2-(1H-Indol-3-yl)-2-oxoethyl 4-chlorobenzoate?
The molecular weight of 2-(1H-Indol-3-yl)-2-oxoethyl 4-chlorobenzoate is 313.05 g/mol.
Where can I buy 2-(1H-Indol-3-yl)-2-oxoethyl 4-chlorobenzoate?
You can request a quote for 2-(1H-Indol-3-yl)-2-oxoethyl 4-chlorobenzoate 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-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-Indol-3-yl)-2-oxoethyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.