ethyl 1-(2-chlorobenzyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate
TL;DR: ethyl 1-(2-chlorobenzyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate (CAS 333352-69-5) is a chemical compound with molecular formula C19H18ClNO3 and molecular weight 343.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[(2-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxylate
Also Known As: BAS 00790639, BIM-0007833.P001, AB01286670-01, ethyl 1-(2-chlorobenzyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate, ethyl 1-[(2-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxylate
| Molecular Formula | C19H18ClNO3 |
|---|---|
| Molecular Weight | 343.10 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.09753 |
| Heavy Atoms | 24 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 333352-69-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CC3=CC=CC=C3Cl)C |
| InChIKey | XFAPUHCSVGLBRL-UHFFFAOYSA-N |
Product Overview
ethyl 1-(2-chlorobenzyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate (CAS 333352-69-5), with molecular formula C19H18ClNO3 and molecular weight 343.10 g/mol. IUPAC: ethyl 1-[(2-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxylate.
Chemical Property Profile of ethyl 1-(2-chlorobenzyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate
Property Insights of ethyl 1-(2-chlorobenzyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate
The XLogP value of 4.5 indicates that ethyl 1-(2-chlorobenzyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.5 Ų, ethyl 1-(2-chlorobenzyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1-(2-chlorobenzyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate 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 ethyl 1-(2-chlorobenzyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
The CAS number of ethyl 1-(2-chlorobenzyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate is 333352-69-5.
What is the molecular formula of ethyl 1-(2-chlorobenzyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
The molecular formula of ethyl 1-(2-chlorobenzyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate is C19H18ClNO3.
What is the molecular weight of ethyl 1-(2-chlorobenzyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
The molecular weight of ethyl 1-(2-chlorobenzyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate is 343.10 g/mol.
Where can I buy ethyl 1-(2-chlorobenzyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
You can request a quote for ethyl 1-(2-chlorobenzyl)-5-hydroxy-2-methyl-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 1-(2-chlorobenzyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-(2-chlorobenzyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.