![ethyl 6-bromo-2-{[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate structure](/static/products/5839/5839-89-4.webp)
ethyl 6-bromo-2-{[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate
TL;DR: ethyl 6-bromo-2-{[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate (CAS 5839-89-4) is a chemical compound with molecular formula C20H16BrCl2NO5S and molecular weight 530.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-2-[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanylmethyl]-5-methoxy-1-methylindole-3-carboxylate
Also Known As: ethyl 6-bromo-2-{[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate, ethyl 6-bromo-2-[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanylmethyl]-5-methoxy-1-methylindole-3-carboxylate
| Molecular Formula | C20H16BrCl2NO5S |
|---|---|
| Molecular Weight | 530.93 g/mol |
| LogP | 5.0842 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 530.93097 |
| Heavy Atoms | 30 |
| Complexity | 1152.0037 |
Chemical Identifiers
| CAS Number | 5839-89-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CSC3=CC(=O)C(=C(C3=O)Cl)Cl |
Product Overview
ethyl 6-bromo-2-{[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate (CAS 5839-89-4), with molecular formula C20H16BrCl2NO5S and molecular weight 530.93 g/mol. IUPAC: ethyl 6-bromo-2-[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanylmethyl]-5-methoxy-1-methylindole-3-carboxylate.
Chemical Property Profile of ethyl 6-bromo-2-{[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate
Property Insights of ethyl 6-bromo-2-{[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate
The XLogP value of 5.0842 indicates that ethyl 6-bromo-2-{[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-bromo-2-{[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-bromo-2-{[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 6-bromo-2-{[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate?
The CAS number of ethyl 6-bromo-2-{[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate is 5839-89-4.
What is the molecular formula of ethyl 6-bromo-2-{[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate?
The molecular formula of ethyl 6-bromo-2-{[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate is C20H16BrCl2NO5S.
What is the molecular weight of ethyl 6-bromo-2-{[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate?
The molecular weight of ethyl 6-bromo-2-{[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate is 530.93 g/mol.
Where can I buy ethyl 6-bromo-2-{[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate?
You can request a quote for ethyl 6-bromo-2-{[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl]methyl}-5-methoxy-1-methyl-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-2-{[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-bromo-2-{[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.