ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate
TL;DR: ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate (CAS 401631-41-2) is a chemical compound with molecular formula C21H19BrN2O3S2 and molecular weight 490.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate
Also Known As: ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate, ethyl 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate, Ethyl 2-(benzothiazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-methyl-indole-3-carboxylate, ethyl 2-((benzo[d]thiazol-2-ylthio)methyl)-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate
| Molecular Formula | C21H19BrN2O3S2 |
|---|---|
| Molecular Weight | 490.00 g/mol |
| LogP | 6.0281 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.00204 |
| Heavy Atoms | 29 |
| Complexity | 1182.8033 |
Chemical Identifiers
| CAS Number | 401631-41-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CSC3=NC4=CC=CC=C4S3 |
Product Overview
ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate (CAS 401631-41-2), with molecular formula C21H19BrN2O3S2 and molecular weight 490.00 g/mol. IUPAC: ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate.
Chemical Property Profile of ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate
Property Insights of ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate
The XLogP value of 6.0281 indicates that ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-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 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate?
The CAS number of ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate is 401631-41-2.
What is the molecular formula of ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate?
The molecular formula of ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate is C21H19BrN2O3S2.
What is the molecular weight of ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate?
The molecular weight of ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate is 490.00 g/mol.
Where can I buy ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate?
You can request a quote for ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-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 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.