1-(2-Chlorophenyl)-4-hydroxy-4-methyl-1-penten-3-one
TL;DR: 1-(2-Chlorophenyl)-4-hydroxy-4-methyl-1-penten-3-one (CAS 20099-30-3) is a chemical compound with molecular formula C12H13ClO2 and molecular weight 224.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(2-chlorophenyl)-4-hydroxy-4-methylpent-1-en-3-one
Also Known As: AB00080208-01, 1-(2-chlorophenyl)-4-hydroxy-4-methyl-1-penten-3-one, (E)-1-(2-chlorophenyl)-4-hydroxy-4-methylpent-1-en-3-one
| Molecular Formula | C12H13ClO2 |
|---|---|
| Molecular Weight | 224.06 g/mol |
| LogP | 2.6932 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.06041 |
| Heavy Atoms | 15 |
| Complexity | 388.85376 |
Chemical Identifiers
| CAS Number | 20099-30-3 |
|---|---|
| SMILES | CC(C)(C(=O)/C=C/C1=CC=CC=C1Cl)O |
Product Overview
1-(2-Chlorophenyl)-4-hydroxy-4-methyl-1-penten-3-one (CAS 20099-30-3), with molecular formula C12H13ClO2 and molecular weight 224.06 g/mol. IUPAC: (E)-1-(2-chlorophenyl)-4-hydroxy-4-methylpent-1-en-3-one.
Chemical Property Profile of 1-(2-Chlorophenyl)-4-hydroxy-4-methyl-1-penten-3-one
Property Insights of 1-(2-Chlorophenyl)-4-hydroxy-4-methyl-1-penten-3-one
The XLogP value of 2.6932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chlorophenyl)-4-hydroxy-4-methyl-1-penten-3-one. With a topological polar surface area (TPSA) of 37.3 Ų, 1-(2-Chlorophenyl)-4-hydroxy-4-methyl-1-penten-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chlorophenyl)-4-hydroxy-4-methyl-1-penten-3-one has 1 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-(2-Chlorophenyl)-4-hydroxy-4-methyl-1-penten-3-one?
The CAS number of 1-(2-Chlorophenyl)-4-hydroxy-4-methyl-1-penten-3-one is 20099-30-3.
What is the molecular formula of 1-(2-Chlorophenyl)-4-hydroxy-4-methyl-1-penten-3-one?
The molecular formula of 1-(2-Chlorophenyl)-4-hydroxy-4-methyl-1-penten-3-one is C12H13ClO2.
What is the molecular weight of 1-(2-Chlorophenyl)-4-hydroxy-4-methyl-1-penten-3-one?
The molecular weight of 1-(2-Chlorophenyl)-4-hydroxy-4-methyl-1-penten-3-one is 224.06 g/mol.
Where can I buy 1-(2-Chlorophenyl)-4-hydroxy-4-methyl-1-penten-3-one?
You can request a quote for 1-(2-Chlorophenyl)-4-hydroxy-4-methyl-1-penten-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chlorophenyl)-4-hydroxy-4-methyl-1-penten-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chlorophenyl)-4-hydroxy-4-methyl-1-penten-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.