![4-Methyl-N-[2,2,2-trichloro-1-(4-nitro-phenylsulfanyl)-ethyl]-benzamide structure](/static/products/3029/302902-25-6.webp)
4-Methyl-N-[2,2,2-trichloro-1-(4-nitro-phenylsulfanyl)-ethyl]-benzamide
TL;DR: 4-Methyl-N-[2,2,2-trichloro-1-(4-nitro-phenylsulfanyl)-ethyl]-benzamide (CAS 302902-25-6) is a chemical compound with molecular formula C16H13Cl3N2O3S and molecular weight 417.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[2,2,2-trichloro-1-(4-nitrophenyl)sulfanylethyl]benzamide
Also Known As: BAS 00158463, 4-Methyl-N-[2,2,2-trichloro-1-(4-nitro-phenylsulfanyl)-ethyl]-benzamide, Benzamide, 4-methyl-N-[2,2,2-trichloro-1-[(4-nitrophenyl)thio]ethyl]-, Benzamide,4-methyl-N-[2,2,2-trichloro-1-[(4-nitrophenyl)thio]ethyl]-, 4-methyl-N-(2,2,2-trichloro-1-(4-nitrophenylthio)ethyl)benzamide
| Molecular Formula | C16H13Cl3N2O3S |
|---|---|
| Molecular Weight | 417.97 g/mol |
| LogP | 5.12162 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.97125 |
| Heavy Atoms | 25 |
| Complexity | 761.6896 |
Chemical Identifiers
| CAS Number | 302902-25-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)SC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-Methyl-N-[2,2,2-trichloro-1-(4-nitro-phenylsulfanyl)-ethyl]-benzamide (CAS 302902-25-6), with molecular formula C16H13Cl3N2O3S and molecular weight 417.97 g/mol. IUPAC: 4-methyl-N-[2,2,2-trichloro-1-(4-nitrophenyl)sulfanylethyl]benzamide.
Chemical Property Profile of 4-Methyl-N-[2,2,2-trichloro-1-(4-nitro-phenylsulfanyl)-ethyl]-benzamide
Property Insights of 4-Methyl-N-[2,2,2-trichloro-1-(4-nitro-phenylsulfanyl)-ethyl]-benzamide
The XLogP value of 5.12162 indicates that 4-Methyl-N-[2,2,2-trichloro-1-(4-nitro-phenylsulfanyl)-ethyl]-benzamide 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 4-Methyl-N-[2,2,2-trichloro-1-(4-nitro-phenylsulfanyl)-ethyl]-benzamide. Following Lipinski's Rule of Five, 4-Methyl-N-[2,2,2-trichloro-1-(4-nitro-phenylsulfanyl)-ethyl]-benzamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Methyl-N-[2,2,2-trichloro-1-(4-nitro-phenylsulfanyl)-ethyl]-benzamide?
The CAS number of 4-Methyl-N-[2,2,2-trichloro-1-(4-nitro-phenylsulfanyl)-ethyl]-benzamide is 302902-25-6.
What is the molecular formula of 4-Methyl-N-[2,2,2-trichloro-1-(4-nitro-phenylsulfanyl)-ethyl]-benzamide?
The molecular formula of 4-Methyl-N-[2,2,2-trichloro-1-(4-nitro-phenylsulfanyl)-ethyl]-benzamide is C16H13Cl3N2O3S.
What is the molecular weight of 4-Methyl-N-[2,2,2-trichloro-1-(4-nitro-phenylsulfanyl)-ethyl]-benzamide?
The molecular weight of 4-Methyl-N-[2,2,2-trichloro-1-(4-nitro-phenylsulfanyl)-ethyl]-benzamide is 417.97 g/mol.
Where can I buy 4-Methyl-N-[2,2,2-trichloro-1-(4-nitro-phenylsulfanyl)-ethyl]-benzamide?
You can request a quote for 4-Methyl-N-[2,2,2-trichloro-1-(4-nitro-phenylsulfanyl)-ethyl]-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-N-[2,2,2-trichloro-1-(4-nitro-phenylsulfanyl)-ethyl]-benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-N-[2,2,2-trichloro-1-(4-nitro-phenylsulfanyl)-ethyl]-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.