![(Z)-2-benzoyl-3-[3-(2-chloro-6-fluorobenzyl)-2,4-dimethoxyphenyl]-2-propenenitrile structure](/static/products/4778/477869-87-7.webp)
(Z)-2-benzoyl-3-[3-(2-chloro-6-fluorobenzyl)-2,4-dimethoxyphenyl]-2-propenenitrile
TL;DR: (Z)-2-benzoyl-3-[3-(2-chloro-6-fluorobenzyl)-2,4-dimethoxyphenyl]-2-propenenitrile (CAS 477869-87-7) is a chemical compound with molecular formula C25H19ClFNO3 and molecular weight 435.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-3-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4-dimethoxyphenyl]prop-2-enenitrile
Also Known As: (Z)-2-benzoyl-3-[3-(2-chloro-6-fluorobenzyl)-2,4-dimethoxyphenyl]-2-propenenitrile, 2-benzoyl-3-[3-[(2-chloro-6-fluoro-phenyl)methyl]-2,4-dimethoxy-phenyl]prop-2-enenitrile, 2-benzoyl-3-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4-dimethoxyphenyl]prop-2-enenitrile
| Molecular Formula | C25H19ClFNO3 |
|---|---|
| Molecular Weight | 435.10 g/mol |
| LogP | 5.87698 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.10376 |
| Heavy Atoms | 31 |
| Complexity | 1163.1118 |
Chemical Identifiers
| CAS Number | 477869-87-7 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)C=C(C#N)C(=O)C2=CC=CC=C2)OC)CC3=C(C=CC=C3Cl)F |
Product Overview
(Z)-2-benzoyl-3-[3-(2-chloro-6-fluorobenzyl)-2,4-dimethoxyphenyl]-2-propenenitrile (CAS 477869-87-7), with molecular formula C25H19ClFNO3 and molecular weight 435.10 g/mol. IUPAC: 2-benzoyl-3-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4-dimethoxyphenyl]prop-2-enenitrile.
Chemical Property Profile of (Z)-2-benzoyl-3-[3-(2-chloro-6-fluorobenzyl)-2,4-dimethoxyphenyl]-2-propenenitrile
Property Insights of (Z)-2-benzoyl-3-[3-(2-chloro-6-fluorobenzyl)-2,4-dimethoxyphenyl]-2-propenenitrile
The XLogP value of 5.87698 indicates that (Z)-2-benzoyl-3-[3-(2-chloro-6-fluorobenzyl)-2,4-dimethoxyphenyl]-2-propenenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.32 Ų, (Z)-2-benzoyl-3-[3-(2-chloro-6-fluorobenzyl)-2,4-dimethoxyphenyl]-2-propenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-2-benzoyl-3-[3-(2-chloro-6-fluorobenzyl)-2,4-dimethoxyphenyl]-2-propenenitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-2-benzoyl-3-[3-(2-chloro-6-fluorobenzyl)-2,4-dimethoxyphenyl]-2-propenenitrile?
The CAS number of (Z)-2-benzoyl-3-[3-(2-chloro-6-fluorobenzyl)-2,4-dimethoxyphenyl]-2-propenenitrile is 477869-87-7.
What is the molecular formula of (Z)-2-benzoyl-3-[3-(2-chloro-6-fluorobenzyl)-2,4-dimethoxyphenyl]-2-propenenitrile?
The molecular formula of (Z)-2-benzoyl-3-[3-(2-chloro-6-fluorobenzyl)-2,4-dimethoxyphenyl]-2-propenenitrile is C25H19ClFNO3.
What is the molecular weight of (Z)-2-benzoyl-3-[3-(2-chloro-6-fluorobenzyl)-2,4-dimethoxyphenyl]-2-propenenitrile?
The molecular weight of (Z)-2-benzoyl-3-[3-(2-chloro-6-fluorobenzyl)-2,4-dimethoxyphenyl]-2-propenenitrile is 435.10 g/mol.
Where can I buy (Z)-2-benzoyl-3-[3-(2-chloro-6-fluorobenzyl)-2,4-dimethoxyphenyl]-2-propenenitrile?
You can request a quote for (Z)-2-benzoyl-3-[3-(2-chloro-6-fluorobenzyl)-2,4-dimethoxyphenyl]-2-propenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-benzoyl-3-[3-(2-chloro-6-fluorobenzyl)-2,4-dimethoxyphenyl]-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-benzoyl-3-[3-(2-chloro-6-fluorobenzyl)-2,4-dimethoxyphenyl]-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.