![methyl 4-({[4-amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzenecarboxylate structure](/static/products/4778/477872-67-6.webp)
methyl 4-({[4-amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzenecarboxylate
TL;DR: methyl 4-({[4-amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzenecarboxylate (CAS 477872-67-6) is a chemical compound with molecular formula C15H14N4O2S2 and molecular weight 346.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate
Also Known As: methyl 4-({[4-amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzenecarboxylate, 1R-1245, methyl 4-({[4-amino-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate, methyl 4-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate, Methyl 4-({4-amino-5-(2-thienyl)-4H-1,2,4-triazol-3-ylsulfanyl}methyl)benzenecarboxylate
| Molecular Formula | C15H14N4O2S2 |
|---|---|
| Molecular Weight | 346.06 g/mol |
| LogP | 2.7993 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.05582 |
| Heavy Atoms | 23 |
| Complexity | 797.50854 |
Chemical Identifiers
| CAS Number | 477872-67-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=CS3 |
Product Overview
methyl 4-({[4-amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzenecarboxylate (CAS 477872-67-6), with molecular formula C15H14N4O2S2 and molecular weight 346.06 g/mol. IUPAC: methyl 4-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate.
Chemical Property Profile of methyl 4-({[4-amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzenecarboxylate
Property Insights of methyl 4-({[4-amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzenecarboxylate
The XLogP value of 2.7993 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-({[4-amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzenecarboxylate. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({[4-amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzenecarboxylate. Following Lipinski's Rule of Five, methyl 4-({[4-amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzenecarboxylate has 1 hydrogen bond donor(s) and 7 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 4-({[4-amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzenecarboxylate?
The CAS number of methyl 4-({[4-amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzenecarboxylate is 477872-67-6.
What is the molecular formula of methyl 4-({[4-amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzenecarboxylate?
The molecular formula of methyl 4-({[4-amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzenecarboxylate is C15H14N4O2S2.
What is the molecular weight of methyl 4-({[4-amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzenecarboxylate?
The molecular weight of methyl 4-({[4-amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzenecarboxylate is 346.06 g/mol.
Where can I buy methyl 4-({[4-amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzenecarboxylate?
You can request a quote for methyl 4-({[4-amino-5-(2-thienyl)-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-({[4-amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({[4-amino-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.