O1-(2-chloroacetyl)-3,5-di(trifluoromethyl)benzene-1-carbohydroximamide
TL;DR: O1-(2-chloroacetyl)-3,5-di(trifluoromethyl)benzene-1-carbohydroximamide (CAS 680579-66-2) is a chemical compound with molecular formula C11H7ClF6N2O2 and molecular weight 348.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-[amino-[3,5-bis(trifluoromethyl)phenyl]methylidene]amino] 2-chloroacetate
Also Known As: O1-(2-chloroacetyl)-3,5-di(trifluoromethyl)benzene-1-carbohydroximamide, {amino[3,5-bis(trifluoromethyl)phenyl]methylidene}amino 2-chloroacetate, [(Z)-[Amino-[3,5-bis(trifluoromethyl)phenyl]methylidene]amino] 2-chloroacetate
| Molecular Formula | C11H7ClF6N2O2 |
|---|---|
| Molecular Weight | 348.01 g/mol |
| LogP | 3.1265 |
| Topological Polar Surface Area | 64.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.01 |
| Heavy Atoms | 22 |
| Complexity | 564.9756 |
Chemical Identifiers
| CAS Number | 680579-66-2 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)/C(=N/OC(=O)CCl)/N |
Product Overview
O1-(2-chloroacetyl)-3,5-di(trifluoromethyl)benzene-1-carbohydroximamide (CAS 680579-66-2), with molecular formula C11H7ClF6N2O2 and molecular weight 348.01 g/mol. IUPAC: [(Z)-[amino-[3,5-bis(trifluoromethyl)phenyl]methylidene]amino] 2-chloroacetate.
Chemical Property Profile of O1-(2-chloroacetyl)-3,5-di(trifluoromethyl)benzene-1-carbohydroximamide
Property Insights of O1-(2-chloroacetyl)-3,5-di(trifluoromethyl)benzene-1-carbohydroximamide
The XLogP value of 3.1265 indicates that O1-(2-chloroacetyl)-3,5-di(trifluoromethyl)benzene-1-carbohydroximamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.68 Ų falls within the moderate polarity range, balancing permeability and solubility for O1-(2-chloroacetyl)-3,5-di(trifluoromethyl)benzene-1-carbohydroximamide. Following Lipinski's Rule of Five, O1-(2-chloroacetyl)-3,5-di(trifluoromethyl)benzene-1-carbohydroximamide has 1 hydrogen bond donor(s) and 3 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 O1-(2-chloroacetyl)-3,5-di(trifluoromethyl)benzene-1-carbohydroximamide?
The CAS number of O1-(2-chloroacetyl)-3,5-di(trifluoromethyl)benzene-1-carbohydroximamide is 680579-66-2.
What is the molecular formula of O1-(2-chloroacetyl)-3,5-di(trifluoromethyl)benzene-1-carbohydroximamide?
The molecular formula of O1-(2-chloroacetyl)-3,5-di(trifluoromethyl)benzene-1-carbohydroximamide is C11H7ClF6N2O2.
What is the molecular weight of O1-(2-chloroacetyl)-3,5-di(trifluoromethyl)benzene-1-carbohydroximamide?
The molecular weight of O1-(2-chloroacetyl)-3,5-di(trifluoromethyl)benzene-1-carbohydroximamide is 348.01 g/mol.
Where can I buy O1-(2-chloroacetyl)-3,5-di(trifluoromethyl)benzene-1-carbohydroximamide?
You can request a quote for O1-(2-chloroacetyl)-3,5-di(trifluoromethyl)benzene-1-carbohydroximamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O1-(2-chloroacetyl)-3,5-di(trifluoromethyl)benzene-1-carbohydroximamide?
Yes, KEHONG BIO provides custom synthesis services for O1-(2-chloroacetyl)-3,5-di(trifluoromethyl)benzene-1-carbohydroximamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.