4-Chloro-2',4',6'-trimethoxybutyrophenone
TL;DR: 4-Chloro-2',4',6'-trimethoxybutyrophenone (CAS 80904-51-4) is a chemical compound with molecular formula C13H17ClO4 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-(2,4,6-trimethoxyphenyl)butan-1-one
Also Known As: Not Available, starbld0009845, 4-Chloro-2',4',6'-trimethoxybutyrophenone, 4-chloro-1-(2,4,6-trimethoxyphenyl)butan-1-one, 1-(4-chlorobutyryl)-2,4,6-trimethoxybenzene
| Molecular Formula | C13H17ClO4 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 2.9141 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.08154 |
| Heavy Atoms | 18 |
| Complexity | 392.44742 |
Chemical Identifiers
| CAS Number | 80904-51-4 |
|---|---|
| SMILES | COC1=CC(=C(C(=C1)OC)C(=O)CCCCl)OC |
Product Overview
4-Chloro-2',4',6'-trimethoxybutyrophenone (CAS 80904-51-4), with molecular formula C13H17ClO4 and molecular weight 272.08 g/mol. IUPAC: 4-chloro-1-(2,4,6-trimethoxyphenyl)butan-1-one.
Chemical Property Profile of 4-Chloro-2',4',6'-trimethoxybutyrophenone
Property Insights of 4-Chloro-2',4',6'-trimethoxybutyrophenone
The XLogP value of 2.9141 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2',4',6'-trimethoxybutyrophenone. With a topological polar surface area (TPSA) of 44.76 Ų, 4-Chloro-2',4',6'-trimethoxybutyrophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2',4',6'-trimethoxybutyrophenone has 0 hydrogen bond donor(s) and 4 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',6'-trimethoxybutyrophenone?
The CAS number of 4-Chloro-2',4',6'-trimethoxybutyrophenone is 80904-51-4.
What is the molecular formula of 4-Chloro-2',4',6'-trimethoxybutyrophenone?
The molecular formula of 4-Chloro-2',4',6'-trimethoxybutyrophenone is C13H17ClO4.
What is the molecular weight of 4-Chloro-2',4',6'-trimethoxybutyrophenone?
The molecular weight of 4-Chloro-2',4',6'-trimethoxybutyrophenone is 272.08 g/mol.
Where can I buy 4-Chloro-2',4',6'-trimethoxybutyrophenone?
You can request a quote for 4-Chloro-2',4',6'-trimethoxybutyrophenone 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',6'-trimethoxybutyrophenone?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2',4',6'-trimethoxybutyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.