![4-[(4-Azaniumyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate structure](/static/products/6770/677013-30-8.webp)
4-[(4-Azaniumyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate
TL;DR: 4-[(4-Azaniumyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate (CAS 677013-30-8) is a chemical compound with molecular formula C15H13N5O2S and molecular weight 327.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid
Also Known As: 4-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic Acid, 4-[(4-azaniumyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate, 4-(((4-amino-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoic acid
| Molecular Formula | C15H13N5O2S |
|---|---|
| Molecular Weight | 327.08 g/mol |
| LogP | 2.0444 |
| Topological Polar Surface Area | 106.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.079 |
| Heavy Atoms | 23 |
| Complexity | 817.64343 |
Chemical Identifiers
| CAS Number | 677013-30-8 |
|---|---|
| SMILES | C1=CC=NC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)O |
Product Overview
4-[(4-Azaniumyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate (CAS 677013-30-8), with molecular formula C15H13N5O2S and molecular weight 327.08 g/mol. IUPAC: 4-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid.
Chemical Property Profile of 4-[(4-Azaniumyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate
Property Insights of 4-[(4-Azaniumyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate
The XLogP value of 2.0444 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-Azaniumyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate. The TPSA of 106.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Azaniumyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate. Following Lipinski's Rule of Five, 4-[(4-Azaniumyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate has 2 hydrogen bond donor(s) and 6 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 4-[(4-Azaniumyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate?
The CAS number of 4-[(4-Azaniumyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate is 677013-30-8.
What is the molecular formula of 4-[(4-Azaniumyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate?
The molecular formula of 4-[(4-Azaniumyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate is C15H13N5O2S.
What is the molecular weight of 4-[(4-Azaniumyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate?
The molecular weight of 4-[(4-Azaniumyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate is 327.08 g/mol.
Where can I buy 4-[(4-Azaniumyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate?
You can request a quote for 4-[(4-Azaniumyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Azaniumyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Azaniumyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.