N-ACETYL 2-BROMO-5-CHLOROANILINE
TL;DR: N-ACETYL 2-BROMO-5-CHLOROANILINE (CAS 5691-14-5) is a chemical compound with molecular formula C27H28N2O2S and molecular weight 444.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-4-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-2-oxoethyl]sulfanyl-6-methyl-1,4-dihydropyridine-3-carbonitrile
Also Known As: N-ACETYL 2-BROMO-5-CHLOROANILINE, 5-Acetyl-4-(4-ethylphenyl)-2-((2-(4-ethylphenyl)-2-oxoethyl)thio)-6-methyl-1,4-dihydropyridine-3-carbonitrile, 5-acetyl-4-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-2-oxo-ethyl]sulfanyl-6-methyl-1,4-dihydropyridine-3-carbonitrile, 5-acetyl-4-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-2-oxoethyl]sulfanyl-6-methyl-1,4-dihydropyridine-3-carbonitrile, 5-ACETYL-4-(4-ETHYLPHENYL)-2-{[2-(4-ETHYLPHENYL)-2-OXOETHYL]SULFANYL}-6-METHYL-1,4-DIHYDROPYRIDINE-3-CARBONITRILE
| Molecular Formula | C27H28N2O2S |
|---|---|
| Molecular Weight | 444.19 g/mol |
| LogP | 5.71248 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 444.18716 |
| Heavy Atoms | 32 |
| Complexity | 1119.7415 |
Chemical Identifiers
| CAS Number | 5691-14-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)C)C)SCC(=O)C3=CC=C(C=C3)CC)C#N |
Product Overview
N-ACETYL 2-BROMO-5-CHLOROANILINE (CAS 5691-14-5), with molecular formula C27H28N2O2S and molecular weight 444.19 g/mol. IUPAC: 5-acetyl-4-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-2-oxoethyl]sulfanyl-6-methyl-1,4-dihydropyridine-3-carbonitrile.
Chemical Property Profile of N-ACETYL 2-BROMO-5-CHLOROANILINE
Property Insights of N-ACETYL 2-BROMO-5-CHLOROANILINE
The XLogP value of 5.71248 indicates that N-ACETYL 2-BROMO-5-CHLOROANILINE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for N-ACETYL 2-BROMO-5-CHLOROANILINE. Following Lipinski's Rule of Five, N-ACETYL 2-BROMO-5-CHLOROANILINE has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-ACETYL 2-BROMO-5-CHLOROANILINE?
The CAS number of N-ACETYL 2-BROMO-5-CHLOROANILINE is 5691-14-5.
What is the molecular formula of N-ACETYL 2-BROMO-5-CHLOROANILINE?
The molecular formula of N-ACETYL 2-BROMO-5-CHLOROANILINE is C27H28N2O2S.
What is the molecular weight of N-ACETYL 2-BROMO-5-CHLOROANILINE?
The molecular weight of N-ACETYL 2-BROMO-5-CHLOROANILINE is 444.19 g/mol.
Where can I buy N-ACETYL 2-BROMO-5-CHLOROANILINE?
You can request a quote for N-ACETYL 2-BROMO-5-CHLOROANILINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ACETYL 2-BROMO-5-CHLOROANILINE?
Yes, KEHONG BIO provides custom synthesis services for N-ACETYL 2-BROMO-5-CHLOROANILINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.