Isobutyrophenone, 2-chloro-4'-methoxy-
TL;DR: Isobutyrophenone, 2-chloro-4'-methoxy- (CAS 36025-20-4) is a chemical compound with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(4-methoxyphenyl)-2-methylpropan-1-one
Also Known As: Isobutyrophenone, 2-chloro-4'-methoxy-, alpha-Chloro-4 -methoxyisobutyrophenone, 2-chloro-1-(4-methoxyphenyl)-2-methylpropan-1-one, Propiophenone, 2-chloro-4'-methoxy-2-methyl-, 1-Propanone, 2-chloro-1-(4-methoxyphenyl)-2-methyl-
| Molecular Formula | C11H13ClO2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.06041 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 36025-20-4 |
|---|---|
| SMILES | CC(C)(C(=O)C1=CC=C(C=C1)OC)Cl |
| InChIKey | UBKQQCPCQKGVCF-UHFFFAOYSA-N |
Product Overview
Isobutyrophenone, 2-chloro-4'-methoxy- (CAS 36025-20-4), with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol. IUPAC: 2-chloro-1-(4-methoxyphenyl)-2-methylpropan-1-one.
Chemical Property Profile of Isobutyrophenone, 2-chloro-4'-methoxy-
Property Insights of Isobutyrophenone, 2-chloro-4'-methoxy-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyrophenone, 2-chloro-4'-methoxy-. With a topological polar surface area (TPSA) of 26.3 Ų, Isobutyrophenone, 2-chloro-4'-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyrophenone, 2-chloro-4'-methoxy- 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 Isobutyrophenone, 2-chloro-4'-methoxy-?
The CAS number of Isobutyrophenone, 2-chloro-4'-methoxy- is 36025-20-4.
What is the molecular formula of Isobutyrophenone, 2-chloro-4'-methoxy-?
The molecular formula of Isobutyrophenone, 2-chloro-4'-methoxy- is C11H13ClO2.
What is the molecular weight of Isobutyrophenone, 2-chloro-4'-methoxy-?
The molecular weight of Isobutyrophenone, 2-chloro-4'-methoxy- is 212.06 g/mol.
Where can I buy Isobutyrophenone, 2-chloro-4'-methoxy-?
You can request a quote for Isobutyrophenone, 2-chloro-4'-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyrophenone, 2-chloro-4'-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Isobutyrophenone, 2-chloro-4'-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.