ethyl 6-bromo-5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylate
TL;DR: ethyl 6-bromo-5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylate (CAS 2107765-51-3) is a chemical compound with molecular formula C13H14BrNO3 and molecular weight 311.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-5-hydroxy-1,2-dimethylindole-3-carboxylate
Also Known As: Arbidol Impurity 6, Arbidol impurity 45, Arbidol Impurity 41, ethyl 6-bromo-5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylate, 1,2-dimethyl-3-carbethoxy-5-hydroxy-6-bromoindole
| Molecular Formula | C13H14BrNO3 |
|---|---|
| Molecular Weight | 311.02 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.01572 |
| Heavy Atoms | 18 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 2107765-51-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)C |
| InChIKey | ASDKWGKYKLXCAQ-UHFFFAOYSA-N |
Product Overview
ethyl 6-bromo-5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylate (CAS 2107765-51-3), with molecular formula C13H14BrNO3 and molecular weight 311.02 g/mol. IUPAC: ethyl 6-bromo-5-hydroxy-1,2-dimethylindole-3-carboxylate.
Chemical Property Profile of ethyl 6-bromo-5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylate
Property Insights of ethyl 6-bromo-5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylate
The XLogP value of 3.0 indicates that ethyl 6-bromo-5-hydroxy-1,2-dimethyl-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 51.5 Ų, ethyl 6-bromo-5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 6-bromo-5-hydroxy-1,2-dimethyl-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 6-bromo-5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylate?
The CAS number of ethyl 6-bromo-5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylate is 2107765-51-3.
What is the molecular formula of ethyl 6-bromo-5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylate?
The molecular formula of ethyl 6-bromo-5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylate is C13H14BrNO3.
What is the molecular weight of ethyl 6-bromo-5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylate?
The molecular weight of ethyl 6-bromo-5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylate is 311.02 g/mol.
Where can I buy ethyl 6-bromo-5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylate?
You can request a quote for ethyl 6-bromo-5-hydroxy-1,2-dimethyl-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 6-bromo-5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-bromo-5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.