N-(3,5-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide
TL;DR: N-(3,5-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide (CAS 83792-61-4) is a chemical compound with molecular formula C11H11Cl2NO2 and molecular weight 259.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dichlorophenyl)-2-hydroxy-2-methylbut-3-enamide
Also Known As: Vinclozolin M2, Vinclozolin metabolite, 3',5'-Dichloro-2-hydroxy-2-methylbut-3-enanilide, Vinclozolin metabolite M2, n-(3,5-dichlorophenyl)-2-hydroxy-2-methylbut-3-enamide
| Molecular Formula | C11H11Cl2NO2 |
|---|---|
| Molecular Weight | 259.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.0167 |
| Heavy Atoms | 16 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 83792-61-4 |
|---|---|
| SMILES | CC(C=C)(C(=O)NC1=CC(=CC(=C1)Cl)Cl)O |
| InChIKey | FBYYIBNYONAZCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3,5-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide (CAS 83792-61-4), with molecular formula C11H11Cl2NO2 and molecular weight 259.02 g/mol. IUPAC: N-(3,5-dichlorophenyl)-2-hydroxy-2-methylbut-3-enamide.
Chemical Property Profile of N-(3,5-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide
Property Insights of N-(3,5-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,5-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide. With a topological polar surface area (TPSA) of 49.3 Ų, N-(3,5-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,5-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide has 2 hydrogen bond donor(s) and 2 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 N-(3,5-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide?
The CAS number of N-(3,5-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide is 83792-61-4.
What is the molecular formula of N-(3,5-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide?
The molecular formula of N-(3,5-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide is C11H11Cl2NO2.
What is the molecular weight of N-(3,5-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide?
The molecular weight of N-(3,5-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide is 259.02 g/mol.
Where can I buy N-(3,5-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide?
You can request a quote for N-(3,5-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,5-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.