![3-(1,3-dioxaindan-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide structure](/static/products/3452/345243-18-7.webp)
3-(1,3-dioxaindan-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
TL;DR: 3-(1,3-dioxaindan-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide (CAS 345243-18-7) is a chemical compound with molecular formula C18H10ClF3N2O3 and molecular weight 394.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(1,3-benzodioxol-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
Also Known As: 3-(1,3-dioxaindan-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide, (Z)-3-(1,3-Benzodioxol-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
| Molecular Formula | C18H10ClF3N2O3 |
|---|---|
| Molecular Weight | 394.03 g/mol |
| LogP | 4.63318 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.0332 |
| Heavy Atoms | 27 |
| Complexity | 980.7927 |
Chemical Identifiers
| CAS Number | 345243-18-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C(/C#N)\C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl |
Product Overview
3-(1,3-dioxaindan-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide (CAS 345243-18-7), with molecular formula C18H10ClF3N2O3 and molecular weight 394.03 g/mol. IUPAC: (Z)-3-(1,3-benzodioxol-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide.
Chemical Property Profile of 3-(1,3-dioxaindan-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
Property Insights of 3-(1,3-dioxaindan-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
The XLogP value of 4.63318 indicates that 3-(1,3-dioxaindan-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-dioxaindan-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide. Following Lipinski's Rule of Five, 3-(1,3-dioxaindan-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide has 1 hydrogen bond donor(s) and 4 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 3-(1,3-dioxaindan-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide?
The CAS number of 3-(1,3-dioxaindan-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide is 345243-18-7.
What is the molecular formula of 3-(1,3-dioxaindan-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide?
The molecular formula of 3-(1,3-dioxaindan-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide is C18H10ClF3N2O3.
What is the molecular weight of 3-(1,3-dioxaindan-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide?
The molecular weight of 3-(1,3-dioxaindan-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide is 394.03 g/mol.
Where can I buy 3-(1,3-dioxaindan-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide?
You can request a quote for 3-(1,3-dioxaindan-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-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 3-(1,3-dioxaindan-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-dioxaindan-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.