ethyl 4-((dimethylamino)methyl)-5-hydroxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate hydrochloride
TL;DR: ethyl 4-((dimethylamino)methyl)-5-hydroxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate hydrochloride (CAS 1052222-68-0) is a chemical compound with molecular formula C27H29ClN2O3S and molecular weight 496.16 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-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate;hydrochloride
Also Known As: ethyl 4-((dimethylamino)methyl)-5-hydroxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate hydrochloride, ethyl 4-(dimethylaminomethyl)-5-hydroxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate hydrochloride
| Molecular Formula | C27H29ClN2O3S |
|---|---|
| Molecular Weight | 496.16 g/mol |
| LogP | 6.2885 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.15875 |
| Heavy Atoms | 34 |
| Complexity | 1257.6068 |
Chemical Identifiers
| CAS Number | 1052222-68-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN(C)C)C3=CC=CC=C3)CSC4=CC=CC=C4.Cl |
Product Overview
ethyl 4-((dimethylamino)methyl)-5-hydroxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate hydrochloride (CAS 1052222-68-0), with molecular formula C27H29ClN2O3S and molecular weight 496.16 g/mol. IUPAC: ethyl 4-[(dimethylamino)methyl]-5-hydroxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate;hydrochloride.
Chemical Property Profile of ethyl 4-((dimethylamino)methyl)-5-hydroxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate hydrochloride
Property Insights of ethyl 4-((dimethylamino)methyl)-5-hydroxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate hydrochloride
The XLogP value of 6.2885 indicates that ethyl 4-((dimethylamino)methyl)-5-hydroxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.7 Ų, ethyl 4-((dimethylamino)methyl)-5-hydroxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-((dimethylamino)methyl)-5-hydroxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate hydrochloride has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-((dimethylamino)methyl)-5-hydroxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate hydrochloride?
The CAS number of ethyl 4-((dimethylamino)methyl)-5-hydroxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate hydrochloride is 1052222-68-0.
What is the molecular formula of ethyl 4-((dimethylamino)methyl)-5-hydroxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate hydrochloride?
The molecular formula of ethyl 4-((dimethylamino)methyl)-5-hydroxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate hydrochloride is C27H29ClN2O3S.
What is the molecular weight of ethyl 4-((dimethylamino)methyl)-5-hydroxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate hydrochloride?
The molecular weight of ethyl 4-((dimethylamino)methyl)-5-hydroxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate hydrochloride is 496.16 g/mol.
Where can I buy ethyl 4-((dimethylamino)methyl)-5-hydroxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate hydrochloride?
You can request a quote for ethyl 4-((dimethylamino)methyl)-5-hydroxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-((dimethylamino)methyl)-5-hydroxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((dimethylamino)methyl)-5-hydroxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.