1-(4-Bromophenyl)-3-(3-chloro-4-methylanilino)-1-propanone
TL;DR: 1-(4-Bromophenyl)-3-(3-chloro-4-methylanilino)-1-propanone (CAS 477334-04-6) is a chemical compound with molecular formula C16H15BrClNO and molecular weight 351.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-3-(3-chloro-4-methylanilino)propan-1-one
Also Known As: 1-(4-bromophenyl)-3-(3-chloro-4-methylanilino)-1-propanone, 1-(4-bromophenyl)-3-(3-chloro-4-methylanilino)propan-1-one, 1-(4-Bromophenyl)-3-((3-chloro-4-methylphenyl)amino)propan-1-one, 1-(4-bromophenyl)-3-[(3-chloro-4-methyl-phenyl)amino]propan-1-one, 1-(4-bromophenyl)-3-[(3-chloro-4-methylphenyl)amino]propan-1-one
| Molecular Formula | C16H15BrClNO |
|---|---|
| Molecular Weight | 351.00 g/mol |
| LogP | 5.09582 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.00256 |
| Heavy Atoms | 20 |
| Complexity | 610.37396 |
Chemical Identifiers
| CAS Number | 477334-04-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NCCC(=O)C2=CC=C(C=C2)Br)Cl |
Product Overview
1-(4-Bromophenyl)-3-(3-chloro-4-methylanilino)-1-propanone (CAS 477334-04-6), with molecular formula C16H15BrClNO and molecular weight 351.00 g/mol. IUPAC: 1-(4-bromophenyl)-3-(3-chloro-4-methylanilino)propan-1-one.
Chemical Property Profile of 1-(4-Bromophenyl)-3-(3-chloro-4-methylanilino)-1-propanone
Property Insights of 1-(4-Bromophenyl)-3-(3-chloro-4-methylanilino)-1-propanone
The XLogP value of 5.09582 indicates that 1-(4-Bromophenyl)-3-(3-chloro-4-methylanilino)-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, 1-(4-Bromophenyl)-3-(3-chloro-4-methylanilino)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)-3-(3-chloro-4-methylanilino)-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 1-(4-Bromophenyl)-3-(3-chloro-4-methylanilino)-1-propanone?
The CAS number of 1-(4-Bromophenyl)-3-(3-chloro-4-methylanilino)-1-propanone is 477334-04-6.
What is the molecular formula of 1-(4-Bromophenyl)-3-(3-chloro-4-methylanilino)-1-propanone?
The molecular formula of 1-(4-Bromophenyl)-3-(3-chloro-4-methylanilino)-1-propanone is C16H15BrClNO.
What is the molecular weight of 1-(4-Bromophenyl)-3-(3-chloro-4-methylanilino)-1-propanone?
The molecular weight of 1-(4-Bromophenyl)-3-(3-chloro-4-methylanilino)-1-propanone is 351.00 g/mol.
Where can I buy 1-(4-Bromophenyl)-3-(3-chloro-4-methylanilino)-1-propanone?
You can request a quote for 1-(4-Bromophenyl)-3-(3-chloro-4-methylanilino)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromophenyl)-3-(3-chloro-4-methylanilino)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromophenyl)-3-(3-chloro-4-methylanilino)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.