3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoprop-2-enamide
TL;DR: 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoprop-2-enamide (CAS 854042-63-0) is a chemical compound with molecular formula C19H15ClN2O4 and molecular weight 370.07202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoprop-2-enamide
Also Known As: 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoprop-2-enamide, 3-(2H-1,3-benzodioxol-5-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoprop-2-enamide
Technical Specifications
| Molecular Formula | C19H15ClN2O4 |
| Molecular Weight | 370.07202 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 80.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.07202 Da |
| Heavy Atoms | 26 |
| Complexity | 602.0 |
| SMILES | CC1=CC(=C(C=C1Cl)OC)NC(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N |
| InChIKey | OKWSTZVGLXIEGE-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoprop-2-enamide
Property Insights of 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoprop-2-enamide
The XLogP value of 4.4 indicates that 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoprop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoprop-2-enamide. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoprop-2-enamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoprop-2-enamide?
The CAS number of 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoprop-2-enamide is 854042-63-0.
What is the molecular formula of 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoprop-2-enamide?
The molecular formula of 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoprop-2-enamide is C19H15ClN2O4.
What is the molecular weight of 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoprop-2-enamide?
The molecular weight of 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoprop-2-enamide is 370.07202 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoprop-2-enamide?
You can request a quote for 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoprop-2-enamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoprop-2-enamide?
Yes, CoreyChem provides custom synthesis services for 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.