ethyl 3-(hydroxymethyl)-2-oxo-1H-indole-3-carboxylate
TL;DR: ethyl 3-(hydroxymethyl)-2-oxo-1H-indole-3-carboxylate (CAS 64230-56-4) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(hydroxymethyl)-2-oxo-1H-indole-3-carboxylate
Also Known As: ethyl 3-(hydroxymethyl)-2-oxo-1H-indole-3-carboxylate, Ethyl 3-(hydroxymethyl)-2-oxo-3-indolinecarboxylate, Ethyl 3-(hydroxymethyl)-2-oxo-2,3-dihydro-1H-indole-3-carboxylate
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 64230-56-4 |
|---|---|
| SMILES | CCOC(=O)C1(C2=CC=CC=C2NC1=O)CO |
| InChIKey | GEVDZPVPCSKFDW-UHFFFAOYSA-N |
Product Overview
ethyl 3-(hydroxymethyl)-2-oxo-1H-indole-3-carboxylate (CAS 64230-56-4), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: ethyl 3-(hydroxymethyl)-2-oxo-1H-indole-3-carboxylate.
Chemical Property Profile of ethyl 3-(hydroxymethyl)-2-oxo-1H-indole-3-carboxylate
Property Insights of ethyl 3-(hydroxymethyl)-2-oxo-1H-indole-3-carboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-(hydroxymethyl)-2-oxo-1H-indole-3-carboxylate. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(hydroxymethyl)-2-oxo-1H-indole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 3-(hydroxymethyl)-2-oxo-1H-indole-3-carboxylate has 2 hydrogen bond donor(s) and 4 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 3-(hydroxymethyl)-2-oxo-1H-indole-3-carboxylate?
The CAS number of ethyl 3-(hydroxymethyl)-2-oxo-1H-indole-3-carboxylate is 64230-56-4.
What is the molecular formula of ethyl 3-(hydroxymethyl)-2-oxo-1H-indole-3-carboxylate?
The molecular formula of ethyl 3-(hydroxymethyl)-2-oxo-1H-indole-3-carboxylate is C12H13NO4.
What is the molecular weight of ethyl 3-(hydroxymethyl)-2-oxo-1H-indole-3-carboxylate?
The molecular weight of ethyl 3-(hydroxymethyl)-2-oxo-1H-indole-3-carboxylate is 235.08 g/mol.
Where can I buy ethyl 3-(hydroxymethyl)-2-oxo-1H-indole-3-carboxylate?
You can request a quote for ethyl 3-(hydroxymethyl)-2-oxo-1H-indole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-(hydroxymethyl)-2-oxo-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(hydroxymethyl)-2-oxo-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.