(E)-N-(((2-fluorophenyl)carbamoyl)oxy)isobutyrimidoyl chloride
TL;DR: (E)-N-(((2-fluorophenyl)carbamoyl)oxy)isobutyrimidoyl chloride (CAS 293759-65-6) is a chemical compound with molecular formula C11H12ClFN2O2 and molecular weight 258.06 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-(2-fluorophenyl)carbamate
Also Known As: (E)-N-(((2-fluorophenyl)carbamoyl)oxy)isobutyrimidoyl chloride, [(E)-(1-chloro-2-methylpropylidene)amino] N-(2-fluorophenyl)carbamate
| Molecular Formula | C11H12ClFN2O2 |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 3.5825 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.05713 |
| Heavy Atoms | 17 |
| Complexity | 435.23453 |
Chemical Identifiers
| CAS Number | 293759-65-6 |
|---|---|
| SMILES | CC(C)/C(=N\OC(=O)NC1=CC=CC=C1F)/Cl |
Product Overview
(E)-N-(((2-fluorophenyl)carbamoyl)oxy)isobutyrimidoyl chloride (CAS 293759-65-6), with molecular formula C11H12ClFN2O2 and molecular weight 258.06 g/mol. IUPAC: [(E)-(1-chloro-2-methylpropylidene)amino] N-(2-fluorophenyl)carbamate.
Chemical Property Profile of (E)-N-(((2-fluorophenyl)carbamoyl)oxy)isobutyrimidoyl chloride
Property Insights of (E)-N-(((2-fluorophenyl)carbamoyl)oxy)isobutyrimidoyl chloride
The XLogP value of 3.5825 indicates that (E)-N-(((2-fluorophenyl)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-(((2-fluorophenyl)carbamoyl)oxy)isobutyrimidoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-N-(((2-fluorophenyl)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-(((2-fluorophenyl)carbamoyl)oxy)isobutyrimidoyl chloride?
The CAS number of (E)-N-(((2-fluorophenyl)carbamoyl)oxy)isobutyrimidoyl chloride is 293759-65-6.
What is the molecular formula of (E)-N-(((2-fluorophenyl)carbamoyl)oxy)isobutyrimidoyl chloride?
The molecular formula of (E)-N-(((2-fluorophenyl)carbamoyl)oxy)isobutyrimidoyl chloride is C11H12ClFN2O2.
What is the molecular weight of (E)-N-(((2-fluorophenyl)carbamoyl)oxy)isobutyrimidoyl chloride?
The molecular weight of (E)-N-(((2-fluorophenyl)carbamoyl)oxy)isobutyrimidoyl chloride is 258.06 g/mol.
Where can I buy (E)-N-(((2-fluorophenyl)carbamoyl)oxy)isobutyrimidoyl chloride?
You can request a quote for (E)-N-(((2-fluorophenyl)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-(((2-fluorophenyl)carbamoyl)oxy)isobutyrimidoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(((2-fluorophenyl)carbamoyl)oxy)isobutyrimidoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.