![2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide structure](/static/products/802/802927-79-3.png)
2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide
TL;DR: 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide (CAS 802927-79-3) is a chemical compound with molecular formula C18H13F2N3O5S and molecular weight 421.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide
Also Known As: 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide, 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enamide, 2-cyano-N-{4-[(difluoromethyl)sulfanyl]phenyl}-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide
| Molecular Formula | C18H13F2N3O5S |
|---|---|
| Molecular Weight | 421.05 g/mol |
| LogP | 4.16938 |
| Topological Polar Surface Area | 125.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.0544 |
| Heavy Atoms | 29 |
| Complexity | 1003.79156 |
Chemical Identifiers
| CAS Number | 802927-79-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C(C#N)C(=O)NC2=CC=C(C=C2)SC(F)F |
Product Overview
2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide (CAS 802927-79-3), with molecular formula C18H13F2N3O5S and molecular weight 421.05 g/mol. IUPAC: 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide.
Chemical Property Profile of 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide
Property Insights of 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide
The XLogP value of 4.16938 indicates that 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide. Following Lipinski's Rule of Five, 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide has 2 hydrogen bond donor(s) and 7 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 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide?
The CAS number of 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide is 802927-79-3.
What is the molecular formula of 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide?
The molecular formula of 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide is C18H13F2N3O5S.
What is the molecular weight of 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide?
The molecular weight of 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide is 421.05 g/mol.
Where can I buy 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide?
You can request a quote for 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.