3-(4-Chloro-3-nitroanilino)-1-(2-thienyl)-1-propanone
TL;DR: 3-(4-Chloro-3-nitroanilino)-1-(2-thienyl)-1-propanone (CAS 883794-08-9) is a chemical compound with molecular formula C13H11ClN2O3S and molecular weight 310.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloro-3-nitroanilino)-1-thiophen-2-ylpropan-1-one
Also Known As: 3-(4-chloro-3-nitroanilino)-1-(2-thienyl)-1-propanone, 3-(4-chloro-3-nitroanilino)-1-thiophen-2-ylpropan-1-one, 3-[(4-chloro-3-nitrophenyl)amino]-1-(thiophen-2-yl)propan-1-one, 3-[(4-chloro-3-nitro-phenyl)amino]-1-thiophen-2-yl-propan-1-one
| Molecular Formula | C13H11ClN2O3S |
|---|---|
| Molecular Weight | 310.02 g/mol |
| LogP | 3.9946 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.01788 |
| Heavy Atoms | 20 |
| Complexity | 628.55145 |
Chemical Identifiers
| CAS Number | 883794-08-9 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)CCNC2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
3-(4-Chloro-3-nitroanilino)-1-(2-thienyl)-1-propanone (CAS 883794-08-9), with molecular formula C13H11ClN2O3S and molecular weight 310.02 g/mol. IUPAC: 3-(4-chloro-3-nitroanilino)-1-thiophen-2-ylpropan-1-one.
Chemical Property Profile of 3-(4-Chloro-3-nitroanilino)-1-(2-thienyl)-1-propanone
Property Insights of 3-(4-Chloro-3-nitroanilino)-1-(2-thienyl)-1-propanone
The XLogP value of 3.9946 indicates that 3-(4-Chloro-3-nitroanilino)-1-(2-thienyl)-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-(2-thienyl)-1-propanone. Following Lipinski's Rule of Five, 3-(4-Chloro-3-nitroanilino)-1-(2-thienyl)-1-propanone has 1 hydrogen bond donor(s) and 5 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-(2-thienyl)-1-propanone?
The CAS number of 3-(4-Chloro-3-nitroanilino)-1-(2-thienyl)-1-propanone is 883794-08-9.
What is the molecular formula of 3-(4-Chloro-3-nitroanilino)-1-(2-thienyl)-1-propanone?
The molecular formula of 3-(4-Chloro-3-nitroanilino)-1-(2-thienyl)-1-propanone is C13H11ClN2O3S.
What is the molecular weight of 3-(4-Chloro-3-nitroanilino)-1-(2-thienyl)-1-propanone?
The molecular weight of 3-(4-Chloro-3-nitroanilino)-1-(2-thienyl)-1-propanone is 310.02 g/mol.
Where can I buy 3-(4-Chloro-3-nitroanilino)-1-(2-thienyl)-1-propanone?
You can request a quote for 3-(4-Chloro-3-nitroanilino)-1-(2-thienyl)-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-(2-thienyl)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chloro-3-nitroanilino)-1-(2-thienyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.