(2E)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(phenylsulfonyl)prop-2-enenitrile
TL;DR: (2E)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(phenylsulfonyl)prop-2-enenitrile (CAS 873080-50-3) is a chemical compound with molecular formula C18H15NO3S and molecular weight 325.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(benzenesulfonyl)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile
Also Known As: (2E)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(phenylsulfonyl)prop-2-enenitrile, (E)-2-(benzenesulfonyl)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile, (E)-3-(2-methyl-2,3-dihydrobenzofuran-5-yl)-2-(phenylsulfonyl)acrylonitrile
| Molecular Formula | C18H15NO3S |
|---|---|
| Molecular Weight | 325.08 g/mol |
| LogP | 3.34838 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.07727 |
| Heavy Atoms | 23 |
| Complexity | 909.028 |
Chemical Identifiers
| CAS Number | 873080-50-3 |
|---|---|
| SMILES | CC1CC2=C(O1)C=CC(=C2)/C=C(\C#N)/S(=O)(=O)C3=CC=CC=C3 |
Product Overview
(2E)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(phenylsulfonyl)prop-2-enenitrile (CAS 873080-50-3), with molecular formula C18H15NO3S and molecular weight 325.08 g/mol. IUPAC: (E)-2-(benzenesulfonyl)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile.
Chemical Property Profile of (2E)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(phenylsulfonyl)prop-2-enenitrile
Property Insights of (2E)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(phenylsulfonyl)prop-2-enenitrile
The XLogP value of 3.34838 indicates that (2E)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(phenylsulfonyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(phenylsulfonyl)prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(phenylsulfonyl)prop-2-enenitrile 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 (2E)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(phenylsulfonyl)prop-2-enenitrile?
The CAS number of (2E)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(phenylsulfonyl)prop-2-enenitrile is 873080-50-3.
What is the molecular formula of (2E)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(phenylsulfonyl)prop-2-enenitrile?
The molecular formula of (2E)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(phenylsulfonyl)prop-2-enenitrile is C18H15NO3S.
What is the molecular weight of (2E)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(phenylsulfonyl)prop-2-enenitrile?
The molecular weight of (2E)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(phenylsulfonyl)prop-2-enenitrile is 325.08 g/mol.
Where can I buy (2E)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(phenylsulfonyl)prop-2-enenitrile?
You can request a quote for (2E)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(phenylsulfonyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(phenylsulfonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(phenylsulfonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.