1-(4-Chlorophenyl)-1,2-propanedione
TL;DR: 1-(4-Chlorophenyl)-1,2-propanedione (CAS 10557-21-8) is a chemical compound with molecular formula C9H7ClO2 and molecular weight 182.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)propane-1,2-dione
Also Known As: 1-(4-Chlorophenyl)propane-1,2-dione, 1-(4-chlorophenyl)-1,2-propandione, 4'-Chloro-2-oxopropiophenone, 1-(4-chlorophenyl)-1,2-propanedione, 1-(4-Chlorophenyl)-1,2-dioxopropane
| Molecular Formula | C9H7ClO2 |
|---|---|
| Molecular Weight | 182.01 g/mol |
| LogP | 2.1117 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.01346 |
| Heavy Atoms | 12 |
| Complexity | 313.80536 |
Chemical Identifiers
| CAS Number | 10557-21-8 |
|---|---|
| SMILES | CC(=O)C(=O)C1=CC=C(C=C1)Cl |
Product Overview
1-(4-Chlorophenyl)-1,2-propanedione (CAS 10557-21-8), with molecular formula C9H7ClO2 and molecular weight 182.01 g/mol. IUPAC: 1-(4-chlorophenyl)propane-1,2-dione.
Chemical Property Profile of 1-(4-Chlorophenyl)-1,2-propanedione
Property Insights of 1-(4-Chlorophenyl)-1,2-propanedione
The XLogP value of 2.1117 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorophenyl)-1,2-propanedione. With a topological polar surface area (TPSA) of 34.14 Ų, 1-(4-Chlorophenyl)-1,2-propanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-1,2-propanedione has 0 hydrogen bond donor(s) and 2 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 1-(4-Chlorophenyl)-1,2-propanedione?
The CAS number of 1-(4-Chlorophenyl)-1,2-propanedione is 10557-21-8.
What is the molecular formula of 1-(4-Chlorophenyl)-1,2-propanedione?
The molecular formula of 1-(4-Chlorophenyl)-1,2-propanedione is C9H7ClO2.
What is the molecular weight of 1-(4-Chlorophenyl)-1,2-propanedione?
The molecular weight of 1-(4-Chlorophenyl)-1,2-propanedione is 182.01 g/mol.
Where can I buy 1-(4-Chlorophenyl)-1,2-propanedione?
You can request a quote for 1-(4-Chlorophenyl)-1,2-propanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-1,2-propanedione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-1,2-propanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.