N-(5-methoxy-2-methyl-4-(2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)phenyl)benzamide
TL;DR: N-(5-methoxy-2-methyl-4-(2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)phenyl)benzamide (CAS 899396-30-6) is a chemical compound with molecular formula C27H27N5O3S and molecular weight 501.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-methoxy-2-methyl-4-[[2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]benzamide
Also Known As: N-(5-methoxy-2-methyl-4-(2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)phenyl)benzamide, N-[5-methoxy-2-methyl-4-[[2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]benzamide, N-{5-methoxy-2-methyl-4-[({[4-methyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]phenyl}benzamide
| Molecular Formula | C27H27N5O3S |
|---|---|
| Molecular Weight | 501.18 g/mol |
| LogP | 5.09064 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 501.18347 |
| Heavy Atoms | 36 |
| Complexity | 1402.047 |
Chemical Identifiers
| CAS Number | 899396-30-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C(N2C)SCC(=O)NC3=C(C=C(C(=C3)C)NC(=O)C4=CC=CC=C4)OC |
Product Overview
N-(5-methoxy-2-methyl-4-(2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)phenyl)benzamide (CAS 899396-30-6), with molecular formula C27H27N5O3S and molecular weight 501.18 g/mol. IUPAC: N-[5-methoxy-2-methyl-4-[[2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]benzamide.
Chemical Property Profile of N-(5-methoxy-2-methyl-4-(2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)phenyl)benzamide
Property Insights of N-(5-methoxy-2-methyl-4-(2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)phenyl)benzamide
The XLogP value of 5.09064 indicates that N-(5-methoxy-2-methyl-4-(2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)phenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-methoxy-2-methyl-4-(2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)phenyl)benzamide. Following Lipinski's Rule of Five, N-(5-methoxy-2-methyl-4-(2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)phenyl)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-(5-methoxy-2-methyl-4-(2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)phenyl)benzamide?
The CAS number of N-(5-methoxy-2-methyl-4-(2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)phenyl)benzamide is 899396-30-6.
What is the molecular formula of N-(5-methoxy-2-methyl-4-(2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)phenyl)benzamide?
The molecular formula of N-(5-methoxy-2-methyl-4-(2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)phenyl)benzamide is C27H27N5O3S.
What is the molecular weight of N-(5-methoxy-2-methyl-4-(2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)phenyl)benzamide?
The molecular weight of N-(5-methoxy-2-methyl-4-(2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)phenyl)benzamide is 501.18 g/mol.
Where can I buy N-(5-methoxy-2-methyl-4-(2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)phenyl)benzamide?
You can request a quote for N-(5-methoxy-2-methyl-4-(2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)phenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-methoxy-2-methyl-4-(2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)phenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-methoxy-2-methyl-4-(2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)phenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.