Ethyl 5-hydroxy-1,2,6-trimethyl-1H-indole-3-carboxylate
TL;DR: Ethyl 5-hydroxy-1,2,6-trimethyl-1H-indole-3-carboxylate (CAS 4814-33-9) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-hydroxy-1,2,6-trimethylindole-3-carboxylate
Also Known As: BAS 01507225, ethyl 5-hydroxy-1,2,6-trimethylindole-3-carboxylate, Ethyl 5-hydroxy-1,2,6-trimethyl-1H-indole-3-carboxylate, A2272/0095775, Ethyl 5-hydroxy-1,2,6-trimethyl-1H-indole-3-carboxylate #
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 4814-33-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C(=C2)C)O)C)C |
| InChIKey | XYYQSFYSCZYQLJ-UHFFFAOYSA-N |
Product Overview
Ethyl 5-hydroxy-1,2,6-trimethyl-1H-indole-3-carboxylate (CAS 4814-33-9), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: ethyl 5-hydroxy-1,2,6-trimethylindole-3-carboxylate.
Chemical Property Profile of Ethyl 5-hydroxy-1,2,6-trimethyl-1H-indole-3-carboxylate
Property Insights of Ethyl 5-hydroxy-1,2,6-trimethyl-1H-indole-3-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-hydroxy-1,2,6-trimethyl-1H-indole-3-carboxylate. With a topological polar surface area (TPSA) of 51.5 Ų, Ethyl 5-hydroxy-1,2,6-trimethyl-1H-indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-hydroxy-1,2,6-trimethyl-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 5-hydroxy-1,2,6-trimethyl-1H-indole-3-carboxylate?
The CAS number of Ethyl 5-hydroxy-1,2,6-trimethyl-1H-indole-3-carboxylate is 4814-33-9.
What is the molecular formula of Ethyl 5-hydroxy-1,2,6-trimethyl-1H-indole-3-carboxylate?
The molecular formula of Ethyl 5-hydroxy-1,2,6-trimethyl-1H-indole-3-carboxylate is C14H17NO3.
What is the molecular weight of Ethyl 5-hydroxy-1,2,6-trimethyl-1H-indole-3-carboxylate?
The molecular weight of Ethyl 5-hydroxy-1,2,6-trimethyl-1H-indole-3-carboxylate is 247.12 g/mol.
Where can I buy Ethyl 5-hydroxy-1,2,6-trimethyl-1H-indole-3-carboxylate?
You can request a quote for Ethyl 5-hydroxy-1,2,6-trimethyl-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 5-hydroxy-1,2,6-trimethyl-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-hydroxy-1,2,6-trimethyl-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.