ethyl 5-(acetyloxy)-6-bromo-1,2-dimethyl-1H-indole-3-carboxylate
TL;DR: ethyl 5-(acetyloxy)-6-bromo-1,2-dimethyl-1H-indole-3-carboxylate (CAS 40945-69-5) is a chemical compound with molecular formula C15H16BrNO4 and molecular weight 353.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyloxy-6-bromo-1,2-dimethylindole-3-carboxylate
Also Known As: Arbidol Impurity 34, Arbidol Impurity 43, Arbidol Impurity 55, 1,2-dimethyl-3-carbethoxy-5-acetoxy-6-bromoindole, ethyl 5-acetyloxy-6-bromo-1,2-dimethylindole-3-carboxylate
| Molecular Formula | C15H16BrNO4 |
|---|---|
| Molecular Weight | 353.03 g/mol |
| LogP | 3.35122 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.02628 |
| Heavy Atoms | 21 |
| Complexity | 733.0842 |
Chemical Identifiers
| CAS Number | 40945-69-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)C |
Product Overview
ethyl 5-(acetyloxy)-6-bromo-1,2-dimethyl-1H-indole-3-carboxylate (CAS 40945-69-5), with molecular formula C15H16BrNO4 and molecular weight 353.03 g/mol. IUPAC: ethyl 5-acetyloxy-6-bromo-1,2-dimethylindole-3-carboxylate.
Chemical Property Profile of ethyl 5-(acetyloxy)-6-bromo-1,2-dimethyl-1H-indole-3-carboxylate
Property Insights of ethyl 5-(acetyloxy)-6-bromo-1,2-dimethyl-1H-indole-3-carboxylate
The XLogP value of 3.35122 indicates that ethyl 5-(acetyloxy)-6-bromo-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 57.53 Ų, ethyl 5-(acetyloxy)-6-bromo-1,2-dimethyl-1H-indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 5-(acetyloxy)-6-bromo-1,2-dimethyl-1H-indole-3-carboxylate has 0 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 5-(acetyloxy)-6-bromo-1,2-dimethyl-1H-indole-3-carboxylate?
The CAS number of ethyl 5-(acetyloxy)-6-bromo-1,2-dimethyl-1H-indole-3-carboxylate is 40945-69-5.
What is the molecular formula of ethyl 5-(acetyloxy)-6-bromo-1,2-dimethyl-1H-indole-3-carboxylate?
The molecular formula of ethyl 5-(acetyloxy)-6-bromo-1,2-dimethyl-1H-indole-3-carboxylate is C15H16BrNO4.
What is the molecular weight of ethyl 5-(acetyloxy)-6-bromo-1,2-dimethyl-1H-indole-3-carboxylate?
The molecular weight of ethyl 5-(acetyloxy)-6-bromo-1,2-dimethyl-1H-indole-3-carboxylate is 353.03 g/mol.
Where can I buy ethyl 5-(acetyloxy)-6-bromo-1,2-dimethyl-1H-indole-3-carboxylate?
You can request a quote for ethyl 5-(acetyloxy)-6-bromo-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 5-(acetyloxy)-6-bromo-1,2-dimethyl-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(acetyloxy)-6-bromo-1,2-dimethyl-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.