(Z)-3-(2H-chromen-3-yl)-2-(phenylsulfonyl)acrylonitrile
TL;DR: (Z)-3-(2H-chromen-3-yl)-2-(phenylsulfonyl)acrylonitrile (CAS 797809-82-6) is a chemical compound with molecular formula C18H13NO3S and molecular weight 323.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(benzenesulfonyl)-3-(2H-chromen-3-yl)prop-2-enenitrile
Also Known As: BAS 03425322, (Z)-3-(2H-chromen-3-yl)-2-(phenylsulfonyl)acrylonitrile, F1673-1921, (Z)-2-(benzenesulfonyl)-3-(2H-chromen-3-yl)prop-2-enenitrile, (2Z)-2-(BENZENESULFONYL)-3-(2H-CHROMEN-3-YL)PROP-2-ENENITRILE
| Molecular Formula | C18H13NO3S |
|---|---|
| Molecular Weight | 323.06 g/mol |
| LogP | 3.34378 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.0616 |
| Heavy Atoms | 23 |
| Complexity | 935.73206 |
Chemical Identifiers
| CAS Number | 797809-82-6 |
|---|---|
| SMILES | C1C(=CC2=CC=CC=C2O1)/C=C(/C#N)\S(=O)(=O)C3=CC=CC=C3 |
Product Overview
(Z)-3-(2H-chromen-3-yl)-2-(phenylsulfonyl)acrylonitrile (CAS 797809-82-6), with molecular formula C18H13NO3S and molecular weight 323.06 g/mol. IUPAC: (Z)-2-(benzenesulfonyl)-3-(2H-chromen-3-yl)prop-2-enenitrile.
Chemical Property Profile of (Z)-3-(2H-chromen-3-yl)-2-(phenylsulfonyl)acrylonitrile
Property Insights of (Z)-3-(2H-chromen-3-yl)-2-(phenylsulfonyl)acrylonitrile
The XLogP value of 3.34378 indicates that (Z)-3-(2H-chromen-3-yl)-2-(phenylsulfonyl)acrylonitrile 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 (Z)-3-(2H-chromen-3-yl)-2-(phenylsulfonyl)acrylonitrile. Following Lipinski's Rule of Five, (Z)-3-(2H-chromen-3-yl)-2-(phenylsulfonyl)acrylonitrile 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 (Z)-3-(2H-chromen-3-yl)-2-(phenylsulfonyl)acrylonitrile?
The CAS number of (Z)-3-(2H-chromen-3-yl)-2-(phenylsulfonyl)acrylonitrile is 797809-82-6.
What is the molecular formula of (Z)-3-(2H-chromen-3-yl)-2-(phenylsulfonyl)acrylonitrile?
The molecular formula of (Z)-3-(2H-chromen-3-yl)-2-(phenylsulfonyl)acrylonitrile is C18H13NO3S.
What is the molecular weight of (Z)-3-(2H-chromen-3-yl)-2-(phenylsulfonyl)acrylonitrile?
The molecular weight of (Z)-3-(2H-chromen-3-yl)-2-(phenylsulfonyl)acrylonitrile is 323.06 g/mol.
Where can I buy (Z)-3-(2H-chromen-3-yl)-2-(phenylsulfonyl)acrylonitrile?
You can request a quote for (Z)-3-(2H-chromen-3-yl)-2-(phenylsulfonyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-(2H-chromen-3-yl)-2-(phenylsulfonyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(2H-chromen-3-yl)-2-(phenylsulfonyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.