1,2-Dimethyl-3-ethoxycarbonyl-4-dimethylaminomethyl-5-hydroxyindole hydrochloride
TL;DR: 1,2-Dimethyl-3-ethoxycarbonyl-4-dimethylaminomethyl-5-hydroxyindole hydrochloride (CAS 16200-02-5) is a chemical compound with molecular formula C16H23ClN2O3 and molecular weight 326.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(dimethylamino)methyl]-5-hydroxy-1,2-dimethylindole-3-carboxylate;hydrochloride
Also Known As: 1,2-Dimethyl-3-ethoxycarbonyl-4-dimethylaminomethyl-5-hydroxyindole hydrochloride, Ethyl 1,2-dimethyl-4-((dimethylamino)methyl)-5-hydroxyindole-3-carboxylate hydrochloride, ethyl 4-((dimethylamino)methyl)-5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylate hydrochloride, Indole-3-carboxylic acid, 1,2-dimethyl-4-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, monohydrochloride, ethyl 4-(dimethylaminomethyl)-5-hydroxy-1,2-dimethylindole-3-carboxylate hydrochloride
| Molecular Formula | C16H23ClN2O3 |
|---|---|
| Molecular Weight | 326.14 g/mol |
| LogP | 2.85242 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.1397 |
| Heavy Atoms | 22 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 16200-02-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN(C)C)C)C.Cl |
| InChIKey | DFIHQSOIQJBXFX-UHFFFAOYSA-N |
Product Overview
1,2-Dimethyl-3-ethoxycarbonyl-4-dimethylaminomethyl-5-hydroxyindole hydrochloride (CAS 16200-02-5), with molecular formula C16H23ClN2O3 and molecular weight 326.14 g/mol. IUPAC: ethyl 4-[(dimethylamino)methyl]-5-hydroxy-1,2-dimethylindole-3-carboxylate;hydrochloride.
Chemical Property Profile of 1,2-Dimethyl-3-ethoxycarbonyl-4-dimethylaminomethyl-5-hydroxyindole hydrochloride
Property Insights of 1,2-Dimethyl-3-ethoxycarbonyl-4-dimethylaminomethyl-5-hydroxyindole hydrochloride
The XLogP value of 2.85242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dimethyl-3-ethoxycarbonyl-4-dimethylaminomethyl-5-hydroxyindole hydrochloride. With a topological polar surface area (TPSA) of 54.7 Ų, 1,2-Dimethyl-3-ethoxycarbonyl-4-dimethylaminomethyl-5-hydroxyindole hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dimethyl-3-ethoxycarbonyl-4-dimethylaminomethyl-5-hydroxyindole hydrochloride 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 1,2-Dimethyl-3-ethoxycarbonyl-4-dimethylaminomethyl-5-hydroxyindole hydrochloride?
The CAS number of 1,2-Dimethyl-3-ethoxycarbonyl-4-dimethylaminomethyl-5-hydroxyindole hydrochloride is 16200-02-5.
What is the molecular formula of 1,2-Dimethyl-3-ethoxycarbonyl-4-dimethylaminomethyl-5-hydroxyindole hydrochloride?
The molecular formula of 1,2-Dimethyl-3-ethoxycarbonyl-4-dimethylaminomethyl-5-hydroxyindole hydrochloride is C16H23ClN2O3.
What is the molecular weight of 1,2-Dimethyl-3-ethoxycarbonyl-4-dimethylaminomethyl-5-hydroxyindole hydrochloride?
The molecular weight of 1,2-Dimethyl-3-ethoxycarbonyl-4-dimethylaminomethyl-5-hydroxyindole hydrochloride is 326.14 g/mol.
Where can I buy 1,2-Dimethyl-3-ethoxycarbonyl-4-dimethylaminomethyl-5-hydroxyindole hydrochloride?
You can request a quote for 1,2-Dimethyl-3-ethoxycarbonyl-4-dimethylaminomethyl-5-hydroxyindole hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dimethyl-3-ethoxycarbonyl-4-dimethylaminomethyl-5-hydroxyindole hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dimethyl-3-ethoxycarbonyl-4-dimethylaminomethyl-5-hydroxyindole hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.