2-(Benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
TL;DR: 2-(Benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile (CAS 6887-67-8) is a chemical compound with molecular formula C18H17NO5S and molecular weight 359.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
Also Known As: 2-(benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
| Molecular Formula | C18H17NO5S |
|---|---|
| Molecular Weight | 359.08 g/mol |
| LogP | 3.05078 |
| Topological Polar Surface Area | 85.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.08273 |
| Heavy Atoms | 25 |
| Complexity | 902.6791 |
Chemical Identifiers
| CAS Number | 6887-67-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C=C(C#N)S(=O)(=O)C2=CC=CC=C2 |
Product Overview
2-(Benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile (CAS 6887-67-8), with molecular formula C18H17NO5S and molecular weight 359.08 g/mol. IUPAC: 2-(benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 2-(Benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
Property Insights of 2-(Benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
The XLogP value of 3.05078 indicates that 2-(Benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(Benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 6 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 2-(Benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile?
The CAS number of 2-(Benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile is 6887-67-8.
What is the molecular formula of 2-(Benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile?
The molecular formula of 2-(Benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile is C18H17NO5S.
What is the molecular weight of 2-(Benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile?
The molecular weight of 2-(Benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile is 359.08 g/mol.
Where can I buy 2-(Benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile?
You can request a quote for 2-(Benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)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 2-(Benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.