![Dimethyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)terephthalate structure](/static/products/4428/442865-32-9.webp)
Dimethyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)terephthalate
TL;DR: Dimethyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)terephthalate (CAS 442865-32-9) is a chemical compound with molecular formula C18H16N4O5S and molecular weight 400.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate
Also Known As: UPCMLD0ENAT0513-5307:001, F1174-0672, dimethyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)terephthalate, 1,4-DIMETHYL 2-(2-{[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YLSULFANYL}ACETAMIDO)BENZENE-1,4-DICARBOXYLATE, dimethyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate
| Molecular Formula | C18H16N4O5S |
|---|---|
| Molecular Weight | 400.08 g/mol |
| LogP | 2.0333 |
| Topological Polar Surface Area | 111.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.08414 |
| Heavy Atoms | 28 |
| Complexity | 1049.387 |
Chemical Identifiers
| CAS Number | 442865-32-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=C3N2C=CC=C3 |
Product Overview
Dimethyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)terephthalate (CAS 442865-32-9), with molecular formula C18H16N4O5S and molecular weight 400.08 g/mol. IUPAC: dimethyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)terephthalate
Property Insights of Dimethyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)terephthalate
The XLogP value of 2.0333 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)terephthalate. The TPSA of 111.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)terephthalate. Following Lipinski's Rule of Five, Dimethyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)terephthalate 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 Dimethyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)terephthalate?
The CAS number of Dimethyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)terephthalate is 442865-32-9.
What is the molecular formula of Dimethyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)terephthalate?
The molecular formula of Dimethyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)terephthalate is C18H16N4O5S.
What is the molecular weight of Dimethyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)terephthalate?
The molecular weight of Dimethyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)terephthalate is 400.08 g/mol.
Where can I buy Dimethyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)terephthalate?
You can request a quote for Dimethyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.