3-(4-Chloro-3-nitroanilino)-1-(4-methylphenyl)-1-propanone
TL;DR: 3-(4-Chloro-3-nitroanilino)-1-(4-methylphenyl)-1-propanone (CAS 882748-63-2) is a chemical compound with molecular formula C16H15ClN2O3 and molecular weight 318.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloro-3-nitroanilino)-1-(4-methylphenyl)propan-1-one
Also Known As: 3-(4-chloro-3-nitroanilino)-1-(4-methylphenyl)-1-propanone, 3-(4-chloro-3-nitroanilino)-1-(4-methylphenyl)propan-1-one, 3-[(4-chloro-3-nitrophenyl)amino]-1-(4-methylphenyl)propan-1-one, 3-[(4-chloro-3-nitro-phenyl)amino]-1-(4-methylphenyl)propan-1-one
| Molecular Formula | C16H15ClN2O3 |
|---|---|
| Molecular Weight | 318.08 g/mol |
| LogP | 4.24152 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.07712 |
| Heavy Atoms | 22 |
| Complexity | 699.0372 |
Chemical Identifiers
| CAS Number | 882748-63-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CCNC2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
3-(4-Chloro-3-nitroanilino)-1-(4-methylphenyl)-1-propanone (CAS 882748-63-2), with molecular formula C16H15ClN2O3 and molecular weight 318.08 g/mol. IUPAC: 3-(4-chloro-3-nitroanilino)-1-(4-methylphenyl)propan-1-one.
Chemical Property Profile of 3-(4-Chloro-3-nitroanilino)-1-(4-methylphenyl)-1-propanone
Property Insights of 3-(4-Chloro-3-nitroanilino)-1-(4-methylphenyl)-1-propanone
The XLogP value of 4.24152 indicates that 3-(4-Chloro-3-nitroanilino)-1-(4-methylphenyl)-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chloro-3-nitroanilino)-1-(4-methylphenyl)-1-propanone. Following Lipinski's Rule of Five, 3-(4-Chloro-3-nitroanilino)-1-(4-methylphenyl)-1-propanone has 1 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 3-(4-Chloro-3-nitroanilino)-1-(4-methylphenyl)-1-propanone?
The CAS number of 3-(4-Chloro-3-nitroanilino)-1-(4-methylphenyl)-1-propanone is 882748-63-2.
What is the molecular formula of 3-(4-Chloro-3-nitroanilino)-1-(4-methylphenyl)-1-propanone?
The molecular formula of 3-(4-Chloro-3-nitroanilino)-1-(4-methylphenyl)-1-propanone is C16H15ClN2O3.
What is the molecular weight of 3-(4-Chloro-3-nitroanilino)-1-(4-methylphenyl)-1-propanone?
The molecular weight of 3-(4-Chloro-3-nitroanilino)-1-(4-methylphenyl)-1-propanone is 318.08 g/mol.
Where can I buy 3-(4-Chloro-3-nitroanilino)-1-(4-methylphenyl)-1-propanone?
You can request a quote for 3-(4-Chloro-3-nitroanilino)-1-(4-methylphenyl)-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-Chloro-3-nitroanilino)-1-(4-methylphenyl)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chloro-3-nitroanilino)-1-(4-methylphenyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.