1-(3-Diethylamino-2-hydroxypropyl)-2-methyl-3-ethoxycarbonyl-5-methoxy-6-bromoindole HCl
TL;DR: 1-(3-Diethylamino-2-hydroxypropyl)-2-methyl-3-ethoxycarbonyl-5-methoxy-6-bromoindole HCl (CAS 120342-37-2) is a chemical compound with molecular formula C20H30BrClN2O4 and molecular weight 476.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-1-[3-(diethylamino)-2-hydroxypropyl]-5-methoxy-2-methylindole-3-carboxylate;hydrochloride
Also Known As: 1-(3-Diethylamino-2-hydroxypropyl)-2-methyl-3-ethoxycarbonyl-5-methoxy-6-bromoindole HCl, 1H-Indole-3-carboxylic acid, 6-bromo-1-(3-(diethylamino)-2-hydroxypropyl)-5-methoxy-2-methyl-, ethyl ester, monohydrochloride, ethyl 6-bromo-1-[3-(diethylamino)-2-hydroxypropyl]-5-methoxy-2-methyl-1H-indole-3-carboxylate, Ethyl 6-bromo-1-[3-(diethylamino)-2-hydroxypropyl]-5-methoxy-2-methyl-1H-indole-3-carboxylate--hydrogen chloride (1/1), ethyl 6-bromo-1-[3-(diethylamino)-2-hydroxypropyl]-5-methoxy-2-methylindole-3-carboxylate hydrochloride
| Molecular Formula | C20H30BrClN2O4 |
|---|---|
| Molecular Weight | 476.11 g/mol |
| LogP | 4.02202 |
| Topological Polar Surface Area | 63.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 476.10776 |
| Heavy Atoms | 28 |
| Complexity | 805.33496 |
Chemical Identifiers
| CAS Number | 120342-37-2 |
|---|---|
| SMILES | CCN(CC)CC(CN1C(=C(C2=CC(=C(C=C21)Br)OC)C(=O)OCC)C)O.Cl |
Product Overview
1-(3-Diethylamino-2-hydroxypropyl)-2-methyl-3-ethoxycarbonyl-5-methoxy-6-bromoindole HCl (CAS 120342-37-2), with molecular formula C20H30BrClN2O4 and molecular weight 476.11 g/mol. IUPAC: ethyl 6-bromo-1-[3-(diethylamino)-2-hydroxypropyl]-5-methoxy-2-methylindole-3-carboxylate;hydrochloride.
Chemical Property Profile of 1-(3-Diethylamino-2-hydroxypropyl)-2-methyl-3-ethoxycarbonyl-5-methoxy-6-bromoindole HCl
Property Insights of 1-(3-Diethylamino-2-hydroxypropyl)-2-methyl-3-ethoxycarbonyl-5-methoxy-6-bromoindole HCl
The XLogP value of 4.02202 indicates that 1-(3-Diethylamino-2-hydroxypropyl)-2-methyl-3-ethoxycarbonyl-5-methoxy-6-bromoindole HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Diethylamino-2-hydroxypropyl)-2-methyl-3-ethoxycarbonyl-5-methoxy-6-bromoindole HCl. Following Lipinski's Rule of Five, 1-(3-Diethylamino-2-hydroxypropyl)-2-methyl-3-ethoxycarbonyl-5-methoxy-6-bromoindole HCl has 1 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 1-(3-Diethylamino-2-hydroxypropyl)-2-methyl-3-ethoxycarbonyl-5-methoxy-6-bromoindole HCl?
The CAS number of 1-(3-Diethylamino-2-hydroxypropyl)-2-methyl-3-ethoxycarbonyl-5-methoxy-6-bromoindole HCl is 120342-37-2.
What is the molecular formula of 1-(3-Diethylamino-2-hydroxypropyl)-2-methyl-3-ethoxycarbonyl-5-methoxy-6-bromoindole HCl?
The molecular formula of 1-(3-Diethylamino-2-hydroxypropyl)-2-methyl-3-ethoxycarbonyl-5-methoxy-6-bromoindole HCl is C20H30BrClN2O4.
What is the molecular weight of 1-(3-Diethylamino-2-hydroxypropyl)-2-methyl-3-ethoxycarbonyl-5-methoxy-6-bromoindole HCl?
The molecular weight of 1-(3-Diethylamino-2-hydroxypropyl)-2-methyl-3-ethoxycarbonyl-5-methoxy-6-bromoindole HCl is 476.11 g/mol.
Where can I buy 1-(3-Diethylamino-2-hydroxypropyl)-2-methyl-3-ethoxycarbonyl-5-methoxy-6-bromoindole HCl?
You can request a quote for 1-(3-Diethylamino-2-hydroxypropyl)-2-methyl-3-ethoxycarbonyl-5-methoxy-6-bromoindole HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Diethylamino-2-hydroxypropyl)-2-methyl-3-ethoxycarbonyl-5-methoxy-6-bromoindole HCl?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Diethylamino-2-hydroxypropyl)-2-methyl-3-ethoxycarbonyl-5-methoxy-6-bromoindole HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.