![methyl 2-{[5-({[4-(diethylsulfamoyl)phenyl]formamido}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate structure](/static/products/6897/689751-79-9.webp)
methyl 2-{[5-({[4-(diethylsulfamoyl)phenyl]formamido}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
TL;DR: methyl 2-{[5-({[4-(diethylsulfamoyl)phenyl]formamido}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS 689751-79-9) is a chemical compound with molecular formula C18H25N5O5S2 and molecular weight 455.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-[[[4-(diethylsulfamoyl)benzoyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: methyl 2-{[5-({[4-(diethylsulfamoyl)phenyl]formamido}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, methyl ({5-[({4-[(diethylamino)sulfonyl]benzoyl}amino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetate, methyl 2-[[5-[[[4-(diethylsulfamoyl)benzoyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate, methyl 2-((5-((4-(N,N-diethylsulfamoyl)benzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate, REGID_for_CID_2159444
| Molecular Formula | C18H25N5O5S2 |
|---|---|
| Molecular Weight | 455.13 g/mol |
| LogP | 1.0407 |
| Topological Polar Surface Area | 123.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 455.1297 |
| Heavy Atoms | 30 |
| Complexity | 984.89606 |
Chemical Identifiers
| CAS Number | 689751-79-9 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)OC |
Product Overview
methyl 2-{[5-({[4-(diethylsulfamoyl)phenyl]formamido}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS 689751-79-9), with molecular formula C18H25N5O5S2 and molecular weight 455.13 g/mol. IUPAC: methyl 2-[[5-[[[4-(diethylsulfamoyl)benzoyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of methyl 2-{[5-({[4-(diethylsulfamoyl)phenyl]formamido}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Property Insights of methyl 2-{[5-({[4-(diethylsulfamoyl)phenyl]formamido}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
The XLogP value of 1.0407 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-{[5-({[4-(diethylsulfamoyl)phenyl]formamido}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate. The TPSA of 123.49 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{[5-({[4-(diethylsulfamoyl)phenyl]formamido}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, methyl 2-{[5-({[4-(diethylsulfamoyl)phenyl]formamido}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate has 1 hydrogen bond donor(s) and 8 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 methyl 2-{[5-({[4-(diethylsulfamoyl)phenyl]formamido}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The CAS number of methyl 2-{[5-({[4-(diethylsulfamoyl)phenyl]formamido}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is 689751-79-9.
What is the molecular formula of methyl 2-{[5-({[4-(diethylsulfamoyl)phenyl]formamido}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The molecular formula of methyl 2-{[5-({[4-(diethylsulfamoyl)phenyl]formamido}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is C18H25N5O5S2.
What is the molecular weight of methyl 2-{[5-({[4-(diethylsulfamoyl)phenyl]formamido}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The molecular weight of methyl 2-{[5-({[4-(diethylsulfamoyl)phenyl]formamido}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is 455.13 g/mol.
Where can I buy methyl 2-{[5-({[4-(diethylsulfamoyl)phenyl]formamido}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
You can request a quote for methyl 2-{[5-({[4-(diethylsulfamoyl)phenyl]formamido}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{[5-({[4-(diethylsulfamoyl)phenyl]formamido}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[5-({[4-(diethylsulfamoyl)phenyl]formamido}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.