4-Chloro-2',4'-dimethoxybutyrophenone
TL;DR: 4-Chloro-2',4'-dimethoxybutyrophenone (CAS 80269-97-2) is a chemical compound with molecular formula C12H15ClO3 and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-(2,4-dimethoxyphenyl)butan-1-one
Also Known As: 4-chloro-1-(2,4-dimethoxyphenyl)butan-1-one, 4-Chloro-2',4'-dimethoxybutyrophenone, 4,5-dichloropyrimidine, 4-Chloro-1-(2,4-dimethoxyphenyl)-1-butanone, 3-Chloropropyl 2,4-dimethoxyphenyl ketone
| Molecular Formula | C12H15ClO3 |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.07097 |
| Heavy Atoms | 16 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 80269-97-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C(=O)CCCCl)OC |
| InChIKey | XWCCYSWTIUDHGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2',4'-dimethoxybutyrophenone (CAS 80269-97-2), with molecular formula C12H15ClO3 and molecular weight 242.07 g/mol. IUPAC: 4-chloro-1-(2,4-dimethoxyphenyl)butan-1-one.
Chemical Property Profile of 4-Chloro-2',4'-dimethoxybutyrophenone
Property Insights of 4-Chloro-2',4'-dimethoxybutyrophenone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2',4'-dimethoxybutyrophenone. With a topological polar surface area (TPSA) of 35.5 Ų, 4-Chloro-2',4'-dimethoxybutyrophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2',4'-dimethoxybutyrophenone 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 4-Chloro-2',4'-dimethoxybutyrophenone?
The CAS number of 4-Chloro-2',4'-dimethoxybutyrophenone is 80269-97-2.
What is the molecular formula of 4-Chloro-2',4'-dimethoxybutyrophenone?
The molecular formula of 4-Chloro-2',4'-dimethoxybutyrophenone is C12H15ClO3.
What is the molecular weight of 4-Chloro-2',4'-dimethoxybutyrophenone?
The molecular weight of 4-Chloro-2',4'-dimethoxybutyrophenone is 242.07 g/mol.
Where can I buy 4-Chloro-2',4'-dimethoxybutyrophenone?
You can request a quote for 4-Chloro-2',4'-dimethoxybutyrophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2',4'-dimethoxybutyrophenone?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2',4'-dimethoxybutyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.