ethyl 1-butyl-5-hydroxy-2,6-dimethyl-2,3-dihydro-1H-indole-3-carboxylate
TL;DR: ethyl 1-butyl-5-hydroxy-2,6-dimethyl-2,3-dihydro-1H-indole-3-carboxylate (CAS 396098-97-8) is a chemical compound with molecular formula C17H25NO3 and molecular weight 291.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-butyl-5-hydroxy-2,6-dimethyl-2,3-dihydroindole-3-carboxylate
Also Known As: ethyl 1-butyl-5-hydroxy-2,6-dimethylindoline-3-carboxylate, ethyl 1-butyl-5-hydroxy-2,6-dimethyl-2,3-dihydro-1H-indole-3-carboxylate, ethyl 1-butyl-5-hydroxy-2,6-dimethyl-2,3-dihydroindole-3-carboxylate
| Molecular Formula | C17H25NO3 |
|---|---|
| Molecular Weight | 291.18 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.18344 |
| Heavy Atoms | 21 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 396098-97-8 |
|---|---|
| SMILES | CCCCN1C(C(C2=C1C=C(C(=C2)O)C)C(=O)OCC)C |
| InChIKey | ZVQHJEWYDNCVFW-UHFFFAOYSA-N |
Product Overview
ethyl 1-butyl-5-hydroxy-2,6-dimethyl-2,3-dihydro-1H-indole-3-carboxylate (CAS 396098-97-8), with molecular formula C17H25NO3 and molecular weight 291.18 g/mol. IUPAC: ethyl 1-butyl-5-hydroxy-2,6-dimethyl-2,3-dihydroindole-3-carboxylate.
Chemical Property Profile of ethyl 1-butyl-5-hydroxy-2,6-dimethyl-2,3-dihydro-1H-indole-3-carboxylate
Property Insights of ethyl 1-butyl-5-hydroxy-2,6-dimethyl-2,3-dihydro-1H-indole-3-carboxylate
The XLogP value of 3.7 indicates that ethyl 1-butyl-5-hydroxy-2,6-dimethyl-2,3-dihydro-1H-indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, ethyl 1-butyl-5-hydroxy-2,6-dimethyl-2,3-dihydro-1H-indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1-butyl-5-hydroxy-2,6-dimethyl-2,3-dihydro-1H-indole-3-carboxylate has 1 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 ethyl 1-butyl-5-hydroxy-2,6-dimethyl-2,3-dihydro-1H-indole-3-carboxylate?
The CAS number of ethyl 1-butyl-5-hydroxy-2,6-dimethyl-2,3-dihydro-1H-indole-3-carboxylate is 396098-97-8.
What is the molecular formula of ethyl 1-butyl-5-hydroxy-2,6-dimethyl-2,3-dihydro-1H-indole-3-carboxylate?
The molecular formula of ethyl 1-butyl-5-hydroxy-2,6-dimethyl-2,3-dihydro-1H-indole-3-carboxylate is C17H25NO3.
What is the molecular weight of ethyl 1-butyl-5-hydroxy-2,6-dimethyl-2,3-dihydro-1H-indole-3-carboxylate?
The molecular weight of ethyl 1-butyl-5-hydroxy-2,6-dimethyl-2,3-dihydro-1H-indole-3-carboxylate is 291.18 g/mol.
Where can I buy ethyl 1-butyl-5-hydroxy-2,6-dimethyl-2,3-dihydro-1H-indole-3-carboxylate?
You can request a quote for ethyl 1-butyl-5-hydroxy-2,6-dimethyl-2,3-dihydro-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 1-butyl-5-hydroxy-2,6-dimethyl-2,3-dihydro-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-butyl-5-hydroxy-2,6-dimethyl-2,3-dihydro-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.