3-Chloro-4-fluorobenzaldehyde O-(cyclopropylcarbonyl)oxime
TL;DR: 3-Chloro-4-fluorobenzaldehyde O-(cyclopropylcarbonyl)oxime (CAS 253586-39-9) is a chemical compound with molecular formula C11H9ClFNO2 and molecular weight 241.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3-chloro-4-fluorophenyl)methylideneamino] cyclopropanecarboxylate
Also Known As: 3-Chloro-4-fluorobenzaldehyde O-(cyclopropylcarbonyl)oxime, [(3-chloro-4-fluoro-phenyl)methylideneamino] Cyclopropanecarboxylate, [(3-chloro-4-fluorophenyl)methylideneamino] cyclopropanecarboxylate, ({[(3-Chloro-4-fluorophenyl)methylidene]amino}oxy)(cyclopropyl)methanone
| Molecular Formula | C11H9ClFNO2 |
|---|---|
| Molecular Weight | 241.03 g/mol |
| LogP | 2.7662 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.03058 |
| Heavy Atoms | 16 |
| Complexity | 443.61075 |
Chemical Identifiers
| CAS Number | 253586-39-9 |
|---|---|
| SMILES | C1CC1C(=O)ON=CC2=CC(=C(C=C2)F)Cl |
Product Overview
3-Chloro-4-fluorobenzaldehyde O-(cyclopropylcarbonyl)oxime (CAS 253586-39-9), with molecular formula C11H9ClFNO2 and molecular weight 241.03 g/mol. IUPAC: [(3-chloro-4-fluorophenyl)methylideneamino] cyclopropanecarboxylate.
Chemical Property Profile of 3-Chloro-4-fluorobenzaldehyde O-(cyclopropylcarbonyl)oxime
Property Insights of 3-Chloro-4-fluorobenzaldehyde O-(cyclopropylcarbonyl)oxime
The XLogP value of 2.7662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-fluorobenzaldehyde O-(cyclopropylcarbonyl)oxime. With a topological polar surface area (TPSA) of 38.66 Ų, 3-Chloro-4-fluorobenzaldehyde O-(cyclopropylcarbonyl)oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-fluorobenzaldehyde O-(cyclopropylcarbonyl)oxime has 0 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 3-Chloro-4-fluorobenzaldehyde O-(cyclopropylcarbonyl)oxime?
The CAS number of 3-Chloro-4-fluorobenzaldehyde O-(cyclopropylcarbonyl)oxime is 253586-39-9.
What is the molecular formula of 3-Chloro-4-fluorobenzaldehyde O-(cyclopropylcarbonyl)oxime?
The molecular formula of 3-Chloro-4-fluorobenzaldehyde O-(cyclopropylcarbonyl)oxime is C11H9ClFNO2.
What is the molecular weight of 3-Chloro-4-fluorobenzaldehyde O-(cyclopropylcarbonyl)oxime?
The molecular weight of 3-Chloro-4-fluorobenzaldehyde O-(cyclopropylcarbonyl)oxime is 241.03 g/mol.
Where can I buy 3-Chloro-4-fluorobenzaldehyde O-(cyclopropylcarbonyl)oxime?
You can request a quote for 3-Chloro-4-fluorobenzaldehyde O-(cyclopropylcarbonyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-fluorobenzaldehyde O-(cyclopropylcarbonyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-fluorobenzaldehyde O-(cyclopropylcarbonyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.