N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide
TL;DR: N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide (CAS 391888-62-3) is a chemical compound with molecular formula C20H19Cl2N5O4S2 and molecular weight 527.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide
Also Known As: N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide, N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(morpholine-4-sulfonyl)benzamide, N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide
| Molecular Formula | C20H19Cl2N5O4S2 |
|---|---|
| Molecular Weight | 527.03 g/mol |
| LogP | 3.18759 |
| Topological Polar Surface Area | 109.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 527.0256 |
| Heavy Atoms | 33 |
| Complexity | 1333.2301 |
Chemical Identifiers
| CAS Number | 391888-62-3 |
|---|---|
| SMILES | C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3C4=CC(=C(C=C4)Cl)Cl |
Product Overview
N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide (CAS 391888-62-3), with molecular formula C20H19Cl2N5O4S2 and molecular weight 527.03 g/mol. IUPAC: N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide.
Chemical Property Profile of N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide
Property Insights of N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide
The XLogP value of 3.18759 indicates that N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.32 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide. Following Lipinski's Rule of Five, N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide?
The CAS number of N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide is 391888-62-3.
What is the molecular formula of N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide?
The molecular formula of N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide is C20H19Cl2N5O4S2.
What is the molecular weight of N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide?
The molecular weight of N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide is 527.03 g/mol.
Where can I buy N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide?
You can request a quote for N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.