![methyl 4-{[(5-{[(4-bromobenzyl)sulfinyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzenecarboxylate structure](/static/products/3442/344274-93-7.webp)
methyl 4-{[(5-{[(4-bromobenzyl)sulfinyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzenecarboxylate
TL;DR: methyl 4-{[(5-{[(4-bromobenzyl)sulfinyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzenecarboxylate (CAS 344274-93-7) is a chemical compound with molecular formula C25H22BrN3O3S2 and molecular weight 555.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[5-[(4-bromophenyl)methylsulfinylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
Also Known As: methyl 4-{[(5-{[(4-bromobenzyl)sulfinyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzenecarboxylate, methyl 4-[[5-[(4-bromophenyl)methylsulfinylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate, methyl 4-{[(5-{[(4-bromophenyl)methanesulfinyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate, methyl4-{[(5-{[(4-bromophenyl)methanesulfinyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate
| Molecular Formula | C25H22BrN3O3S2 |
|---|---|
| Molecular Weight | 555.03 g/mol |
| LogP | 5.5576 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 555.0286 |
| Heavy Atoms | 34 |
| Complexity | 1277.276 |
Chemical Identifiers
| CAS Number | 344274-93-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)CS(=O)CC4=CC=C(C=C4)Br |
Product Overview
methyl 4-{[(5-{[(4-bromobenzyl)sulfinyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzenecarboxylate (CAS 344274-93-7), with molecular formula C25H22BrN3O3S2 and molecular weight 555.03 g/mol. IUPAC: methyl 4-[[5-[(4-bromophenyl)methylsulfinylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate.
Chemical Property Profile of methyl 4-{[(5-{[(4-bromobenzyl)sulfinyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzenecarboxylate
Property Insights of methyl 4-{[(5-{[(4-bromobenzyl)sulfinyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzenecarboxylate
The XLogP value of 5.5576 indicates that methyl 4-{[(5-{[(4-bromobenzyl)sulfinyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{[(5-{[(4-bromobenzyl)sulfinyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzenecarboxylate. Following Lipinski's Rule of Five, methyl 4-{[(5-{[(4-bromobenzyl)sulfinyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzenecarboxylate has 0 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 methyl 4-{[(5-{[(4-bromobenzyl)sulfinyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzenecarboxylate?
The CAS number of methyl 4-{[(5-{[(4-bromobenzyl)sulfinyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzenecarboxylate is 344274-93-7.
What is the molecular formula of methyl 4-{[(5-{[(4-bromobenzyl)sulfinyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzenecarboxylate?
The molecular formula of methyl 4-{[(5-{[(4-bromobenzyl)sulfinyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzenecarboxylate is C25H22BrN3O3S2.
What is the molecular weight of methyl 4-{[(5-{[(4-bromobenzyl)sulfinyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzenecarboxylate?
The molecular weight of methyl 4-{[(5-{[(4-bromobenzyl)sulfinyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzenecarboxylate is 555.03 g/mol.
Where can I buy methyl 4-{[(5-{[(4-bromobenzyl)sulfinyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzenecarboxylate?
You can request a quote for methyl 4-{[(5-{[(4-bromobenzyl)sulfinyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-{[(5-{[(4-bromobenzyl)sulfinyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{[(5-{[(4-bromobenzyl)sulfinyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.