ethyl 4,6-bis(dimethylaminomethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate
TL;DR: ethyl 4,6-bis(dimethylaminomethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate (CAS 88461-89-6) is a chemical compound with molecular formula C18H27N3O3 and molecular weight 333.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,6-bis[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate
Also Known As: 1-Pentyn-3-amine,N,3-dimethyl, ethyl 4,6-bis(dimethylaminomethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate, AH-262/02644011, Ethyl 4,6-bis((dimethylamino)methyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate, ethyl 4,6-bis[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate
| Molecular Formula | C18H27N3O3 |
|---|---|
| Molecular Weight | 333.21 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 333.20523 |
| Heavy Atoms | 24 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 88461-89-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C1C(=C(C(=C2)CN(C)C)O)CN(C)C)C |
| InChIKey | YADWRJLASWKRET-UHFFFAOYSA-N |
Product Overview
ethyl 4,6-bis(dimethylaminomethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate (CAS 88461-89-6), with molecular formula C18H27N3O3 and molecular weight 333.21 g/mol. IUPAC: ethyl 4,6-bis[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate.
Chemical Property Profile of ethyl 4,6-bis(dimethylaminomethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate
Property Insights of ethyl 4,6-bis(dimethylaminomethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4,6-bis(dimethylaminomethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4,6-bis(dimethylaminomethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 4,6-bis(dimethylaminomethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate has 2 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 ethyl 4,6-bis(dimethylaminomethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
The CAS number of ethyl 4,6-bis(dimethylaminomethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate is 88461-89-6.
What is the molecular formula of ethyl 4,6-bis(dimethylaminomethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
The molecular formula of ethyl 4,6-bis(dimethylaminomethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate is C18H27N3O3.
What is the molecular weight of ethyl 4,6-bis(dimethylaminomethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
The molecular weight of ethyl 4,6-bis(dimethylaminomethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate is 333.21 g/mol.
Where can I buy ethyl 4,6-bis(dimethylaminomethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
You can request a quote for ethyl 4,6-bis(dimethylaminomethyl)-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 4,6-bis(dimethylaminomethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4,6-bis(dimethylaminomethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.