![(2Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yloxy)-3-methoxyphenyl]-N-(4-chlorophe nyl)-2-cyanoprop-2-enamide structure](/static/products/401/401590-11-2.png)
(2Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yloxy)-3-methoxyphenyl]-N-(4-chlorophe nyl)-2-cyanoprop-2-enamide
TL;DR: (2Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yloxy)-3-methoxyphenyl]-N-(4-chlorophe nyl)-2-cyanoprop-2-enamide (CAS 401590-11-2) is a chemical compound with molecular formula C21H13Cl2FN4O3 and molecular weight 458.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-methoxyphenyl]-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
Also Known As: (2Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yloxy)-3-methoxyphenyl]-N-(4-chlorophe nyl)-2-cyanoprop-2-enamide, (Z)-3-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-methoxyphenyl)-N-(4-chlorophenyl)-2-cyanoacrylamide, (Z)-3-[4-(2-Chloro-5-fluoro-pyrimidin-4-yloxy)-3-methoxy-phenyl]-N-(4-chloro-phenyl)-2-cyano-acrylamide, (Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-methoxyphenyl]-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
| Molecular Formula | C21H13Cl2FN4O3 |
|---|---|
| Molecular Weight | 458.03 g/mol |
| LogP | 5.26908 |
| Topological Polar Surface Area | 97.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.03488 |
| Heavy Atoms | 31 |
| Complexity | 1194.2195 |
Chemical Identifiers
| CAS Number | 401590-11-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(/C#N)\C(=O)NC2=CC=C(C=C2)Cl)OC3=NC(=NC=C3F)Cl |
Product Overview
(2Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yloxy)-3-methoxyphenyl]-N-(4-chlorophe nyl)-2-cyanoprop-2-enamide (CAS 401590-11-2), with molecular formula C21H13Cl2FN4O3 and molecular weight 458.03 g/mol. IUPAC: (Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-methoxyphenyl]-N-(4-chlorophenyl)-2-cyanoprop-2-enamide.
Chemical Property Profile of (2Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yloxy)-3-methoxyphenyl]-N-(4-chlorophe nyl)-2-cyanoprop-2-enamide
Property Insights of (2Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yloxy)-3-methoxyphenyl]-N-(4-chlorophe nyl)-2-cyanoprop-2-enamide
The XLogP value of 5.26908 indicates that (2Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yloxy)-3-methoxyphenyl]-N-(4-chlorophe nyl)-2-cyanoprop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.13 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yloxy)-3-methoxyphenyl]-N-(4-chlorophe nyl)-2-cyanoprop-2-enamide. Following Lipinski's Rule of Five, (2Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yloxy)-3-methoxyphenyl]-N-(4-chlorophe nyl)-2-cyanoprop-2-enamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yloxy)-3-methoxyphenyl]-N-(4-chlorophe nyl)-2-cyanoprop-2-enamide?
The CAS number of (2Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yloxy)-3-methoxyphenyl]-N-(4-chlorophe nyl)-2-cyanoprop-2-enamide is 401590-11-2.
What is the molecular formula of (2Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yloxy)-3-methoxyphenyl]-N-(4-chlorophe nyl)-2-cyanoprop-2-enamide?
The molecular formula of (2Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yloxy)-3-methoxyphenyl]-N-(4-chlorophe nyl)-2-cyanoprop-2-enamide is C21H13Cl2FN4O3.
What is the molecular weight of (2Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yloxy)-3-methoxyphenyl]-N-(4-chlorophe nyl)-2-cyanoprop-2-enamide?
The molecular weight of (2Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yloxy)-3-methoxyphenyl]-N-(4-chlorophe nyl)-2-cyanoprop-2-enamide is 458.03 g/mol.
Where can I buy (2Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yloxy)-3-methoxyphenyl]-N-(4-chlorophe nyl)-2-cyanoprop-2-enamide?
You can request a quote for (2Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yloxy)-3-methoxyphenyl]-N-(4-chlorophe nyl)-2-cyanoprop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yloxy)-3-methoxyphenyl]-N-(4-chlorophe nyl)-2-cyanoprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-3-[4-(2-chloro-5-fluoropyrimidin-4-yloxy)-3-methoxyphenyl]-N-(4-chlorophe nyl)-2-cyanoprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.