![(E)-3-[3-(2-chloro-6-fluorobenzyl)-2,4-diisopropoxyphenyl]-2-(phenylsulfonyl)-2-propenenitrile structure](/static/products/3039/303994-45-8.webp)
(E)-3-[3-(2-chloro-6-fluorobenzyl)-2,4-diisopropoxyphenyl]-2-(phenylsulfonyl)-2-propenenitrile
TL;DR: (E)-3-[3-(2-chloro-6-fluorobenzyl)-2,4-diisopropoxyphenyl]-2-(phenylsulfonyl)-2-propenenitrile (CAS 303994-45-8) is a chemical compound with molecular formula C28H27ClFNO4S and molecular weight 527.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-3-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4-di(propan-2-yloxy)phenyl]prop-2-enenitrile
Also Known As: (E)-3-[3-(2-chloro-6-fluorobenzyl)-2,4-diisopropoxyphenyl]-2-(phenylsulfonyl)-2-propenenitrile, 2-(benzenesulfonyl)-3-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4-di(propan-2-yloxy)phenyl]prop-2-enenitrile
| Molecular Formula | C28H27ClFNO4S |
|---|---|
| Molecular Weight | 527.13 g/mol |
| LogP | 6.98268 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 527.13336 |
| Heavy Atoms | 36 |
| Complexity | 1391.2025 |
Chemical Identifiers
| CAS Number | 303994-45-8 |
|---|---|
| SMILES | CC(C)OC1=C(C(=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OC(C)C)CC3=C(C=CC=C3Cl)F |
Product Overview
(E)-3-[3-(2-chloro-6-fluorobenzyl)-2,4-diisopropoxyphenyl]-2-(phenylsulfonyl)-2-propenenitrile (CAS 303994-45-8), with molecular formula C28H27ClFNO4S and molecular weight 527.13 g/mol. IUPAC: 2-(benzenesulfonyl)-3-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4-di(propan-2-yloxy)phenyl]prop-2-enenitrile.
Chemical Property Profile of (E)-3-[3-(2-chloro-6-fluorobenzyl)-2,4-diisopropoxyphenyl]-2-(phenylsulfonyl)-2-propenenitrile
Property Insights of (E)-3-[3-(2-chloro-6-fluorobenzyl)-2,4-diisopropoxyphenyl]-2-(phenylsulfonyl)-2-propenenitrile
The XLogP value of 6.98268 indicates that (E)-3-[3-(2-chloro-6-fluorobenzyl)-2,4-diisopropoxyphenyl]-2-(phenylsulfonyl)-2-propenenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.39 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-[3-(2-chloro-6-fluorobenzyl)-2,4-diisopropoxyphenyl]-2-(phenylsulfonyl)-2-propenenitrile. Following Lipinski's Rule of Five, (E)-3-[3-(2-chloro-6-fluorobenzyl)-2,4-diisopropoxyphenyl]-2-(phenylsulfonyl)-2-propenenitrile 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 (E)-3-[3-(2-chloro-6-fluorobenzyl)-2,4-diisopropoxyphenyl]-2-(phenylsulfonyl)-2-propenenitrile?
The CAS number of (E)-3-[3-(2-chloro-6-fluorobenzyl)-2,4-diisopropoxyphenyl]-2-(phenylsulfonyl)-2-propenenitrile is 303994-45-8.
What is the molecular formula of (E)-3-[3-(2-chloro-6-fluorobenzyl)-2,4-diisopropoxyphenyl]-2-(phenylsulfonyl)-2-propenenitrile?
The molecular formula of (E)-3-[3-(2-chloro-6-fluorobenzyl)-2,4-diisopropoxyphenyl]-2-(phenylsulfonyl)-2-propenenitrile is C28H27ClFNO4S.
What is the molecular weight of (E)-3-[3-(2-chloro-6-fluorobenzyl)-2,4-diisopropoxyphenyl]-2-(phenylsulfonyl)-2-propenenitrile?
The molecular weight of (E)-3-[3-(2-chloro-6-fluorobenzyl)-2,4-diisopropoxyphenyl]-2-(phenylsulfonyl)-2-propenenitrile is 527.13 g/mol.
Where can I buy (E)-3-[3-(2-chloro-6-fluorobenzyl)-2,4-diisopropoxyphenyl]-2-(phenylsulfonyl)-2-propenenitrile?
You can request a quote for (E)-3-[3-(2-chloro-6-fluorobenzyl)-2,4-diisopropoxyphenyl]-2-(phenylsulfonyl)-2-propenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-[3-(2-chloro-6-fluorobenzyl)-2,4-diisopropoxyphenyl]-2-(phenylsulfonyl)-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-[3-(2-chloro-6-fluorobenzyl)-2,4-diisopropoxyphenyl]-2-(phenylsulfonyl)-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.