4'-tert-Butyl-4-chlorobutyrophenone
TL;DR: 4'-tert-Butyl-4-chlorobutyrophenone (CAS 43076-61-5) is a chemical compound with molecular formula C14H19ClO and molecular weight 238.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-tert-butylphenyl)-4-chlorobutan-1-one
Also Known As: 4'-tert-Butyl-4-chlorobutyrophenone, 1-(4-(tert-Butyl)phenyl)-4-chlorobutan-1-one, Ebastine Impurity 8, Ebastine Impurity N2, butyrophenone derivative
| Molecular Formula | C14H19ClO |
|---|---|
| Molecular Weight | 238.11 g/mol |
| LogP | 4.1858 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.11244 |
| Heavy Atoms | 16 |
| Complexity | 345.99326 |
Chemical Identifiers
| CAS Number | 43076-61-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)CCCCl |
Product Overview
4'-tert-Butyl-4-chlorobutyrophenone (CAS 43076-61-5), with molecular formula C14H19ClO and molecular weight 238.11 g/mol. IUPAC: 1-(4-tert-butylphenyl)-4-chlorobutan-1-one.
Chemical Property Profile of 4'-tert-Butyl-4-chlorobutyrophenone
Property Insights of 4'-tert-Butyl-4-chlorobutyrophenone
The XLogP value of 4.1858 indicates that 4'-tert-Butyl-4-chlorobutyrophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 4'-tert-Butyl-4-chlorobutyrophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-tert-Butyl-4-chlorobutyrophenone has 0 hydrogen bond donor(s) and 1 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'-tert-Butyl-4-chlorobutyrophenone?
The CAS number of 4'-tert-Butyl-4-chlorobutyrophenone is 43076-61-5.
What is the molecular formula of 4'-tert-Butyl-4-chlorobutyrophenone?
The molecular formula of 4'-tert-Butyl-4-chlorobutyrophenone is C14H19ClO.
What is the molecular weight of 4'-tert-Butyl-4-chlorobutyrophenone?
The molecular weight of 4'-tert-Butyl-4-chlorobutyrophenone is 238.11 g/mol.
Where can I buy 4'-tert-Butyl-4-chlorobutyrophenone?
You can request a quote for 4'-tert-Butyl-4-chlorobutyrophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-tert-Butyl-4-chlorobutyrophenone?
Yes, KEHONG BIO provides custom synthesis services for 4'-tert-Butyl-4-chlorobutyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.