![3,4-dichloro-N-[(4-methyl-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide structure](/static/products/7929/792944-84-4.webp)
3,4-dichloro-N-[(4-methyl-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide
TL;DR: 3,4-dichloro-N-[(4-methyl-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide (CAS 792944-84-4) is a chemical compound with molecular formula C20H19Cl2N5O2S and molecular weight 463.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3,4-dichlorobenzamide
Also Known As: 3,4-dichloro-N-[(4-methyl-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide, N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3,4-dichlorobenzamide, 3,4-dichloro-N-[[4-methyl-5-[2-(phenylcarbamoyl)ethylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C20H19Cl2N5O2S |
|---|---|
| Molecular Weight | 463.06 g/mol |
| LogP | 4.1728 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 463.06366 |
| Heavy Atoms | 30 |
| Complexity | 1042.931 |
Chemical Identifiers
| CAS Number | 792944-84-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2)CNC(=O)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
3,4-dichloro-N-[(4-methyl-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide (CAS 792944-84-4), with molecular formula C20H19Cl2N5O2S and molecular weight 463.06 g/mol. IUPAC: N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3,4-dichlorobenzamide.
Chemical Property Profile of 3,4-dichloro-N-[(4-methyl-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide
Property Insights of 3,4-dichloro-N-[(4-methyl-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide
The XLogP value of 4.1728 indicates that 3,4-dichloro-N-[(4-methyl-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dichloro-N-[(4-methyl-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide. Following Lipinski's Rule of Five, 3,4-dichloro-N-[(4-methyl-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide has 2 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-dichloro-N-[(4-methyl-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide?
The CAS number of 3,4-dichloro-N-[(4-methyl-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide is 792944-84-4.
What is the molecular formula of 3,4-dichloro-N-[(4-methyl-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide?
The molecular formula of 3,4-dichloro-N-[(4-methyl-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide is C20H19Cl2N5O2S.
What is the molecular weight of 3,4-dichloro-N-[(4-methyl-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide?
The molecular weight of 3,4-dichloro-N-[(4-methyl-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide is 463.06 g/mol.
Where can I buy 3,4-dichloro-N-[(4-methyl-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide?
You can request a quote for 3,4-dichloro-N-[(4-methyl-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dichloro-N-[(4-methyl-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dichloro-N-[(4-methyl-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.