![2-chloro-N-(4-{4-methyl-5-[(2,4,6-trimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)benzamide structure](/static/products/4336/433698-97-6.webp)
2-chloro-N-(4-{4-methyl-5-[(2,4,6-trimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)benzamide
TL;DR: 2-chloro-N-(4-{4-methyl-5-[(2,4,6-trimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)benzamide (CAS 433698-97-6) is a chemical compound with molecular formula C26H25ClN4OS and molecular weight 476.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[4-[4-methyl-5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]phenyl]benzamide
Also Known As: 2-chloro-N-(4-{4-methyl-5-[(2,4,6-trimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)benzamide, 2-chloro-N-[4-[4-methyl-5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]phenyl]benzamide
| Molecular Formula | C26H25ClN4OS |
|---|---|
| Molecular Weight | 476.14 g/mol |
| LogP | 6.60536 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.14377 |
| Heavy Atoms | 33 |
| Complexity | 1291.374 |
Chemical Identifiers
| CAS Number | 433698-97-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)CSC2=NN=C(N2C)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Cl)C |
Product Overview
2-chloro-N-(4-{4-methyl-5-[(2,4,6-trimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)benzamide (CAS 433698-97-6), with molecular formula C26H25ClN4OS and molecular weight 476.14 g/mol. IUPAC: 2-chloro-N-[4-[4-methyl-5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]phenyl]benzamide.
Chemical Property Profile of 2-chloro-N-(4-{4-methyl-5-[(2,4,6-trimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)benzamide
Property Insights of 2-chloro-N-(4-{4-methyl-5-[(2,4,6-trimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)benzamide
The XLogP value of 6.60536 indicates that 2-chloro-N-(4-{4-methyl-5-[(2,4,6-trimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 2-chloro-N-(4-{4-methyl-5-[(2,4,6-trimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-(4-{4-methyl-5-[(2,4,6-trimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)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 2-chloro-N-(4-{4-methyl-5-[(2,4,6-trimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)benzamide?
The CAS number of 2-chloro-N-(4-{4-methyl-5-[(2,4,6-trimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)benzamide is 433698-97-6.
What is the molecular formula of 2-chloro-N-(4-{4-methyl-5-[(2,4,6-trimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)benzamide?
The molecular formula of 2-chloro-N-(4-{4-methyl-5-[(2,4,6-trimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)benzamide is C26H25ClN4OS.
What is the molecular weight of 2-chloro-N-(4-{4-methyl-5-[(2,4,6-trimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)benzamide?
The molecular weight of 2-chloro-N-(4-{4-methyl-5-[(2,4,6-trimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)benzamide is 476.14 g/mol.
Where can I buy 2-chloro-N-(4-{4-methyl-5-[(2,4,6-trimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)benzamide?
You can request a quote for 2-chloro-N-(4-{4-methyl-5-[(2,4,6-trimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(4-{4-methyl-5-[(2,4,6-trimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(4-{4-methyl-5-[(2,4,6-trimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.