(E)-methyl 3-((3-(2-cyano-2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)methyl)benzoate
TL;DR: (E)-methyl 3-((3-(2-cyano-2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)methyl)benzoate (CAS 701289-19-2) is a chemical compound with molecular formula C26H20N2O4S and molecular weight 456.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[3-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]indol-1-yl]methyl]benzoate
Also Known As: (E)-methyl 3-((3-(2-cyano-2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)methyl)benzoate, methyl 3-({3-[(1E)-2-cyano-2-(phenylsulfonyl)vinyl]indolyl}methyl)benzoate, methyl 3-({3-[(E)-2-cyano-2-(phenylsulfonyl)ethenyl]-1H-indol-1-yl}methyl)benzoate, methyl 3-[[3-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]indol-1-yl]methyl]benzoate
| Molecular Formula | C26H20N2O4S |
|---|---|
| Molecular Weight | 456.11 g/mol |
| LogP | 4.81458 |
| Topological Polar Surface Area | 89.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.11438 |
| Heavy Atoms | 33 |
| Complexity | 1510.9406 |
Chemical Identifiers
| CAS Number | 701289-19-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC(=C1)CN2C=C(C3=CC=CC=C32)/C=C(\C#N)/S(=O)(=O)C4=CC=CC=C4 |
Product Overview
(E)-methyl 3-((3-(2-cyano-2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)methyl)benzoate (CAS 701289-19-2), with molecular formula C26H20N2O4S and molecular weight 456.11 g/mol. IUPAC: methyl 3-[[3-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]indol-1-yl]methyl]benzoate.
Chemical Property Profile of (E)-methyl 3-((3-(2-cyano-2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)methyl)benzoate
Property Insights of (E)-methyl 3-((3-(2-cyano-2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)methyl)benzoate
The XLogP value of 4.81458 indicates that (E)-methyl 3-((3-(2-cyano-2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.16 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 3-((3-(2-cyano-2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)methyl)benzoate. Following Lipinski's Rule of Five, (E)-methyl 3-((3-(2-cyano-2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)methyl)benzoate has 0 hydrogen bond donor(s) and 5 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 (E)-methyl 3-((3-(2-cyano-2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)methyl)benzoate?
The CAS number of (E)-methyl 3-((3-(2-cyano-2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)methyl)benzoate is 701289-19-2.
What is the molecular formula of (E)-methyl 3-((3-(2-cyano-2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)methyl)benzoate?
The molecular formula of (E)-methyl 3-((3-(2-cyano-2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)methyl)benzoate is C26H20N2O4S.
What is the molecular weight of (E)-methyl 3-((3-(2-cyano-2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)methyl)benzoate?
The molecular weight of (E)-methyl 3-((3-(2-cyano-2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)methyl)benzoate is 456.11 g/mol.
Where can I buy (E)-methyl 3-((3-(2-cyano-2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)methyl)benzoate?
You can request a quote for (E)-methyl 3-((3-(2-cyano-2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 3-((3-(2-cyano-2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 3-((3-(2-cyano-2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.