ethyl 4,5-dichloro-1H-indole-2-carboxylate
TL;DR: ethyl 4,5-dichloro-1H-indole-2-carboxylate (CAS 53995-85-0) is a chemical compound with molecular formula C11H9Cl2NO2 and molecular weight 257.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dichloro-1H-indole-2-carboxylate
Also Known As: ethyl 4,5-dichloro-1H-indole-2-carboxylate, ethyl 4,5-dichloroindole-2-carboxylate, ethyl 4, 5-dichloroindole-2-carboxylate, 4,5-DICHLORO-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER, 4,5-Dichloroindole-2-carboxylic aicd ethyl ester
| Molecular Formula | C11H9Cl2NO2 |
|---|---|
| Molecular Weight | 257.00 g/mol |
| LogP | 3.6514 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.00104 |
| Heavy Atoms | 16 |
| Complexity | 548.1533 |
Chemical Identifiers
| CAS Number | 53995-85-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N1)C=CC(=C2Cl)Cl |
Product Overview
ethyl 4,5-dichloro-1H-indole-2-carboxylate (CAS 53995-85-0), with molecular formula C11H9Cl2NO2 and molecular weight 257.00 g/mol. IUPAC: ethyl 4,5-dichloro-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 4,5-dichloro-1H-indole-2-carboxylate
Property Insights of ethyl 4,5-dichloro-1H-indole-2-carboxylate
The XLogP value of 3.6514 indicates that ethyl 4,5-dichloro-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.09 Ų, ethyl 4,5-dichloro-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4,5-dichloro-1H-indole-2-carboxylate has 1 hydrogen bond donor(s) and 2 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 4,5-dichloro-1H-indole-2-carboxylate?
The CAS number of ethyl 4,5-dichloro-1H-indole-2-carboxylate is 53995-85-0.
What is the molecular formula of ethyl 4,5-dichloro-1H-indole-2-carboxylate?
The molecular formula of ethyl 4,5-dichloro-1H-indole-2-carboxylate is C11H9Cl2NO2.
What is the molecular weight of ethyl 4,5-dichloro-1H-indole-2-carboxylate?
The molecular weight of ethyl 4,5-dichloro-1H-indole-2-carboxylate is 257.00 g/mol.
Where can I buy ethyl 4,5-dichloro-1H-indole-2-carboxylate?
You can request a quote for ethyl 4,5-dichloro-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4,5-dichloro-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4,5-dichloro-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.