(E)-N-(((3-(trifluoromethyl)phenyl)carbamoyl)oxy)isobutyrimidoyl chloride
TL;DR: (E)-N-(((3-(trifluoromethyl)phenyl)carbamoyl)oxy)isobutyrimidoyl chloride (CAS 317844-53-4) is a chemical compound with molecular formula C12H12ClF3N2O2 and molecular weight 308.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(1-chloro-2-methylpropylidene)amino] N-[3-(trifluoromethyl)phenyl]carbamate
Also Known As: (E)-N-(((3-(trifluoromethyl)phenyl)carbamoyl)oxy)isobutyrimidoyl chloride, (1E)-2-methyl-N-({[3-(trifluoromethyl)phenyl]carbamoyl}oxy)propanimidoyl chloride, [(E)-(1-chloro-2-methylpropylidene)amino] N-[3-(trifluoromethyl)phenyl]carbamate
| Molecular Formula | C12H12ClF3N2O2 |
|---|---|
| Molecular Weight | 308.05 g/mol |
| LogP | 4.4622 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.05392 |
| Heavy Atoms | 20 |
| Complexity | 515.66907 |
Chemical Identifiers
| CAS Number | 317844-53-4 |
|---|---|
| SMILES | CC(C)/C(=N\OC(=O)NC1=CC=CC(=C1)C(F)(F)F)/Cl |
Product Overview
(E)-N-(((3-(trifluoromethyl)phenyl)carbamoyl)oxy)isobutyrimidoyl chloride (CAS 317844-53-4), with molecular formula C12H12ClF3N2O2 and molecular weight 308.05 g/mol. IUPAC: [(E)-(1-chloro-2-methylpropylidene)amino] N-[3-(trifluoromethyl)phenyl]carbamate.
Chemical Property Profile of (E)-N-(((3-(trifluoromethyl)phenyl)carbamoyl)oxy)isobutyrimidoyl chloride
Property Insights of (E)-N-(((3-(trifluoromethyl)phenyl)carbamoyl)oxy)isobutyrimidoyl chloride
The XLogP value of 4.4622 indicates that (E)-N-(((3-(trifluoromethyl)phenyl)carbamoyl)oxy)isobutyrimidoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.69 Ų, (E)-N-(((3-(trifluoromethyl)phenyl)carbamoyl)oxy)isobutyrimidoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-N-(((3-(trifluoromethyl)phenyl)carbamoyl)oxy)isobutyrimidoyl chloride 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 (E)-N-(((3-(trifluoromethyl)phenyl)carbamoyl)oxy)isobutyrimidoyl chloride?
The CAS number of (E)-N-(((3-(trifluoromethyl)phenyl)carbamoyl)oxy)isobutyrimidoyl chloride is 317844-53-4.
What is the molecular formula of (E)-N-(((3-(trifluoromethyl)phenyl)carbamoyl)oxy)isobutyrimidoyl chloride?
The molecular formula of (E)-N-(((3-(trifluoromethyl)phenyl)carbamoyl)oxy)isobutyrimidoyl chloride is C12H12ClF3N2O2.
What is the molecular weight of (E)-N-(((3-(trifluoromethyl)phenyl)carbamoyl)oxy)isobutyrimidoyl chloride?
The molecular weight of (E)-N-(((3-(trifluoromethyl)phenyl)carbamoyl)oxy)isobutyrimidoyl chloride is 308.05 g/mol.
Where can I buy (E)-N-(((3-(trifluoromethyl)phenyl)carbamoyl)oxy)isobutyrimidoyl chloride?
You can request a quote for (E)-N-(((3-(trifluoromethyl)phenyl)carbamoyl)oxy)isobutyrimidoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(((3-(trifluoromethyl)phenyl)carbamoyl)oxy)isobutyrimidoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(((3-(trifluoromethyl)phenyl)carbamoyl)oxy)isobutyrimidoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.