Ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate
TL;DR: Ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate (CAS 487022-52-6) is a chemical compound with molecular formula C25H22BrNO5S and molecular weight 527.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate
Also Known As: A2993/0126127, ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate, ethyl 6-bromo-5-methoxy-1-phenyl-2-((phenylsulfonyl)methyl)-1H-indole-3-carboxylate, ethyl 6-bromo-5-methoxy-1-phenyl-2-[(phenylsulfonyl)methyl]-1H-indole-3-carboxylate, ETHYL 2-[(BENZENESULFONYL)METHYL]-6-BROMO-5-METHOXY-1-PHENYL-1H-INDOLE-3-CARBOXYLATE
| Molecular Formula | C25H22BrNO5S |
|---|---|
| Molecular Weight | 527.04 g/mol |
| LogP | 5.5522 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 527.0402 |
| Heavy Atoms | 33 |
| Complexity | 1413.967 |
Chemical Identifiers
| CAS Number | 487022-52-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4 |
Product Overview
Ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate (CAS 487022-52-6), with molecular formula C25H22BrNO5S and molecular weight 527.04 g/mol. IUPAC: ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate.
Chemical Property Profile of Ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate
Property Insights of Ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate
The XLogP value of 5.5522 indicates that Ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-phenylindole-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 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate has 0 hydrogen bond donor(s) and 5 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-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate?
The CAS number of Ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate is 487022-52-6.
What is the molecular formula of Ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate?
The molecular formula of Ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate is C25H22BrNO5S.
What is the molecular weight of Ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate?
The molecular weight of Ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate is 527.04 g/mol.
Where can I buy Ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate?
You can request a quote for Ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-phenylindole-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-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.