4-Chloro-5-formyl-3,6,6-trimethyl-6,7-dihydro-1H-indole-2-carboxylic acid ethyl ester
TL;DR: 4-Chloro-5-formyl-3,6,6-trimethyl-6,7-dihydro-1H-indole-2-carboxylic acid ethyl ester (CAS 333780-80-6) is a chemical compound with molecular formula C15H18ClNO3 and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-5-formyl-3,6,6-trimethyl-1,7-dihydroindole-2-carboxylate
Also Known As: 4-Chloro-5-formyl-3,6,6-trimethyl-6,7-dihydro-1H-indole-2-carboxylic acid ethyl ester, 6-ethynyl-9-(oxan-2-yl)purine, BAS 01041727, ethyl 4-chloro-5-formyl-3,6,6-trimethyl-6,7-dihydro-1H-indole-2-carboxylate, ethyl 4-chloro-5-formyl-3,6,6-trimethyl-1,7-dihydroindole-2-carboxylate
| Molecular Formula | C15H18ClNO3 |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.09753 |
| Heavy Atoms | 20 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 333780-80-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)CC(C(=C2Cl)C=O)(C)C)C |
| InChIKey | BKWXQGFYAOETKH-UHFFFAOYSA-N |
Product Overview
4-Chloro-5-formyl-3,6,6-trimethyl-6,7-dihydro-1H-indole-2-carboxylic acid ethyl ester (CAS 333780-80-6), with molecular formula C15H18ClNO3 and molecular weight 295.10 g/mol. IUPAC: ethyl 4-chloro-5-formyl-3,6,6-trimethyl-1,7-dihydroindole-2-carboxylate.
Chemical Property Profile of 4-Chloro-5-formyl-3,6,6-trimethyl-6,7-dihydro-1H-indole-2-carboxylic acid ethyl ester
Property Insights of 4-Chloro-5-formyl-3,6,6-trimethyl-6,7-dihydro-1H-indole-2-carboxylic acid ethyl ester
The XLogP value of 3.2 indicates that 4-Chloro-5-formyl-3,6,6-trimethyl-6,7-dihydro-1H-indole-2-carboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.2 Ų, 4-Chloro-5-formyl-3,6,6-trimethyl-6,7-dihydro-1H-indole-2-carboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-5-formyl-3,6,6-trimethyl-6,7-dihydro-1H-indole-2-carboxylic acid ethyl ester 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 4-Chloro-5-formyl-3,6,6-trimethyl-6,7-dihydro-1H-indole-2-carboxylic acid ethyl ester?
The CAS number of 4-Chloro-5-formyl-3,6,6-trimethyl-6,7-dihydro-1H-indole-2-carboxylic acid ethyl ester is 333780-80-6.
What is the molecular formula of 4-Chloro-5-formyl-3,6,6-trimethyl-6,7-dihydro-1H-indole-2-carboxylic acid ethyl ester?
The molecular formula of 4-Chloro-5-formyl-3,6,6-trimethyl-6,7-dihydro-1H-indole-2-carboxylic acid ethyl ester is C15H18ClNO3.
What is the molecular weight of 4-Chloro-5-formyl-3,6,6-trimethyl-6,7-dihydro-1H-indole-2-carboxylic acid ethyl ester?
The molecular weight of 4-Chloro-5-formyl-3,6,6-trimethyl-6,7-dihydro-1H-indole-2-carboxylic acid ethyl ester is 295.10 g/mol.
Where can I buy 4-Chloro-5-formyl-3,6,6-trimethyl-6,7-dihydro-1H-indole-2-carboxylic acid ethyl ester?
You can request a quote for 4-Chloro-5-formyl-3,6,6-trimethyl-6,7-dihydro-1H-indole-2-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-5-formyl-3,6,6-trimethyl-6,7-dihydro-1H-indole-2-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-5-formyl-3,6,6-trimethyl-6,7-dihydro-1H-indole-2-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.