O1-(2-chloroacetyl)-3-fluoro-4-methyl-1-benzenecarbohydroximamide
TL;DR: O1-(2-chloroacetyl)-3-fluoro-4-methyl-1-benzenecarbohydroximamide (CAS 680217-44-1) is a chemical compound with molecular formula C10H10ClFN2O2 and molecular weight 244.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-[amino-(3-fluoro-4-methylphenyl)methylidene]amino] 2-chloroacetate
Also Known As: O1-(2-chloroacetyl)-3-fluoro-4-methyl-1-benzenecarbohydroximamide, [amino(3-fluoro-4-methylphenyl)methylidene]amino 2-chloroacetate, (1Z)-2-amino-2-(3-fluoro-4-methylphenyl)-1-azavinyl 2-chloroacetate, [(Z)-[Amino-(3-fluoro-4-methylphenyl)methylidene]amino] 2-chloroacetate
| Molecular Formula | C10H10ClFN2O2 |
|---|---|
| Molecular Weight | 244.04 g/mol |
| LogP | 1.53642 |
| Topological Polar Surface Area | 64.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.04149 |
| Heavy Atoms | 16 |
| Complexity | 434.82724 |
Chemical Identifiers
| CAS Number | 680217-44-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)/C(=N/OC(=O)CCl)/N)F |
Product Overview
O1-(2-chloroacetyl)-3-fluoro-4-methyl-1-benzenecarbohydroximamide (CAS 680217-44-1), with molecular formula C10H10ClFN2O2 and molecular weight 244.04 g/mol. IUPAC: [(Z)-[amino-(3-fluoro-4-methylphenyl)methylidene]amino] 2-chloroacetate.
Chemical Property Profile of O1-(2-chloroacetyl)-3-fluoro-4-methyl-1-benzenecarbohydroximamide
Property Insights of O1-(2-chloroacetyl)-3-fluoro-4-methyl-1-benzenecarbohydroximamide
The XLogP value of 1.53642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O1-(2-chloroacetyl)-3-fluoro-4-methyl-1-benzenecarbohydroximamide. The TPSA of 64.68 Ų falls within the moderate polarity range, balancing permeability and solubility for O1-(2-chloroacetyl)-3-fluoro-4-methyl-1-benzenecarbohydroximamide. Following Lipinski's Rule of Five, O1-(2-chloroacetyl)-3-fluoro-4-methyl-1-benzenecarbohydroximamide 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-fluoro-4-methyl-1-benzenecarbohydroximamide?
The CAS number of O1-(2-chloroacetyl)-3-fluoro-4-methyl-1-benzenecarbohydroximamide is 680217-44-1.
What is the molecular formula of O1-(2-chloroacetyl)-3-fluoro-4-methyl-1-benzenecarbohydroximamide?
The molecular formula of O1-(2-chloroacetyl)-3-fluoro-4-methyl-1-benzenecarbohydroximamide is C10H10ClFN2O2.
What is the molecular weight of O1-(2-chloroacetyl)-3-fluoro-4-methyl-1-benzenecarbohydroximamide?
The molecular weight of O1-(2-chloroacetyl)-3-fluoro-4-methyl-1-benzenecarbohydroximamide is 244.04 g/mol.
Where can I buy O1-(2-chloroacetyl)-3-fluoro-4-methyl-1-benzenecarbohydroximamide?
You can request a quote for O1-(2-chloroacetyl)-3-fluoro-4-methyl-1-benzenecarbohydroximamide 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-fluoro-4-methyl-1-benzenecarbohydroximamide?
Yes, KEHONG BIO provides custom synthesis services for O1-(2-chloroacetyl)-3-fluoro-4-methyl-1-benzenecarbohydroximamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.