3-(4-Tert-butylanilino)-1-(3,4-dichlorophenyl)-1-propanone
TL;DR: 3-(4-Tert-butylanilino)-1-(3,4-dichlorophenyl)-1-propanone (CAS 477320-22-2) is a chemical compound with molecular formula C19H21Cl2NO and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylanilino)-1-(3,4-dichlorophenyl)propan-1-one
Also Known As: 3-[4-(tert-butyl)anilino]-1-(3,4-dichlorophenyl)-1-propanone, 3-((4-(tert-Butyl)phenyl)amino)-1-(3,4-dichlorophenyl)propan-1-one, 3-(4-tert-butylanilino)-1-(3,4-dichlorophenyl)propan-1-one, 3-(4-TERT-BUTYLANILINO)-1-(3,4-DICHLOROPHENYL)-1-PROPANONE, 1-(3,4-dichlorophenyl)-3-[(4-tert-butylphenyl)amino]propan-1-one
| Molecular Formula | C19H21Cl2NO |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 5.9758 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.1 |
| Heavy Atoms | 23 |
| Complexity | 687.50604 |
Chemical Identifiers
| CAS Number | 477320-22-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)NCCC(=O)C2=CC(=C(C=C2)Cl)Cl |
Product Overview
3-(4-Tert-butylanilino)-1-(3,4-dichlorophenyl)-1-propanone (CAS 477320-22-2), with molecular formula C19H21Cl2NO and molecular weight 349.10 g/mol. IUPAC: 3-(4-tert-butylanilino)-1-(3,4-dichlorophenyl)propan-1-one.
Chemical Property Profile of 3-(4-Tert-butylanilino)-1-(3,4-dichlorophenyl)-1-propanone
Property Insights of 3-(4-Tert-butylanilino)-1-(3,4-dichlorophenyl)-1-propanone
The XLogP value of 5.9758 indicates that 3-(4-Tert-butylanilino)-1-(3,4-dichlorophenyl)-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3-(4-Tert-butylanilino)-1-(3,4-dichlorophenyl)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Tert-butylanilino)-1-(3,4-dichlorophenyl)-1-propanone has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Tert-butylanilino)-1-(3,4-dichlorophenyl)-1-propanone?
The CAS number of 3-(4-Tert-butylanilino)-1-(3,4-dichlorophenyl)-1-propanone is 477320-22-2.
What is the molecular formula of 3-(4-Tert-butylanilino)-1-(3,4-dichlorophenyl)-1-propanone?
The molecular formula of 3-(4-Tert-butylanilino)-1-(3,4-dichlorophenyl)-1-propanone is C19H21Cl2NO.
What is the molecular weight of 3-(4-Tert-butylanilino)-1-(3,4-dichlorophenyl)-1-propanone?
The molecular weight of 3-(4-Tert-butylanilino)-1-(3,4-dichlorophenyl)-1-propanone is 349.10 g/mol.
Where can I buy 3-(4-Tert-butylanilino)-1-(3,4-dichlorophenyl)-1-propanone?
You can request a quote for 3-(4-Tert-butylanilino)-1-(3,4-dichlorophenyl)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Tert-butylanilino)-1-(3,4-dichlorophenyl)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Tert-butylanilino)-1-(3,4-dichlorophenyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.