(E)-1-(4-chlorophenyl)-propan-1,2-dione-2-oxime
TL;DR: (E)-1-(4-chlorophenyl)-propan-1,2-dione-2-oxime (CAS 56472-72-1) is a chemical compound with molecular formula C9H8ClNO2 and molecular weight 197.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-1-(4-chlorophenyl)-2-hydroxyiminopropan-1-one
Also Known As: 1-(4-Chlorophenyl)propane-1,2-dione2-oxime, (E)-1-(4-chlorophenyl)-propan-1,2-dione-2-oxime, (2Z)-1-(4-chlorophenyl)-2-hydroxyiminopropan-1-one
| Molecular Formula | C9H8ClNO2 |
|---|---|
| Molecular Weight | 197.02 g/mol |
| LogP | 2.3728 |
| Topological Polar Surface Area | 49.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.02435 |
| Heavy Atoms | 13 |
| Complexity | 343.13727 |
Chemical Identifiers
| CAS Number | 56472-72-1 |
|---|---|
| SMILES | C/C(=N/O)/C(=O)C1=CC=C(C=C1)Cl |
Product Overview
(E)-1-(4-chlorophenyl)-propan-1,2-dione-2-oxime (CAS 56472-72-1), with molecular formula C9H8ClNO2 and molecular weight 197.02 g/mol. IUPAC: (2Z)-1-(4-chlorophenyl)-2-hydroxyiminopropan-1-one.
Chemical Property Profile of (E)-1-(4-chlorophenyl)-propan-1,2-dione-2-oxime
Property Insights of (E)-1-(4-chlorophenyl)-propan-1,2-dione-2-oxime
The XLogP value of 2.3728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-chlorophenyl)-propan-1,2-dione-2-oxime. With a topological polar surface area (TPSA) of 49.66 Ų, (E)-1-(4-chlorophenyl)-propan-1,2-dione-2-oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(4-chlorophenyl)-propan-1,2-dione-2-oxime 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)-1-(4-chlorophenyl)-propan-1,2-dione-2-oxime?
The CAS number of (E)-1-(4-chlorophenyl)-propan-1,2-dione-2-oxime is 56472-72-1.
What is the molecular formula of (E)-1-(4-chlorophenyl)-propan-1,2-dione-2-oxime?
The molecular formula of (E)-1-(4-chlorophenyl)-propan-1,2-dione-2-oxime is C9H8ClNO2.
What is the molecular weight of (E)-1-(4-chlorophenyl)-propan-1,2-dione-2-oxime?
The molecular weight of (E)-1-(4-chlorophenyl)-propan-1,2-dione-2-oxime is 197.02 g/mol.
Where can I buy (E)-1-(4-chlorophenyl)-propan-1,2-dione-2-oxime?
You can request a quote for (E)-1-(4-chlorophenyl)-propan-1,2-dione-2-oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(4-chlorophenyl)-propan-1,2-dione-2-oxime?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(4-chlorophenyl)-propan-1,2-dione-2-oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.