![(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl thiophene-2-carboxylate structure](/static/products/4320/432005-86-2.webp)
(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl thiophene-2-carboxylate
TL;DR: (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl thiophene-2-carboxylate (CAS 432005-86-2) is a chemical compound with molecular formula C13H9N3O3S and molecular weight 287.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-oxo-1,2,3-benzotriazin-3-yl)methyl thiophene-2-carboxylate
Also Known As: (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl thiophene-2-carboxylate, (4-oxo-1,2,3-benzotriazin-3-yl)methyl thiophene-2-carboxylate, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-thenoate
| Molecular Formula | C13H9N3O3S |
|---|---|
| Molecular Weight | 287.04 g/mol |
| LogP | 1.6675 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.03647 |
| Heavy Atoms | 20 |
| Complexity | 811.09436 |
Chemical Identifiers
| CAS Number | 432005-86-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=CS3 |
Product Overview
(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl thiophene-2-carboxylate (CAS 432005-86-2), with molecular formula C13H9N3O3S and molecular weight 287.04 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl thiophene-2-carboxylate.
Chemical Property Profile of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl thiophene-2-carboxylate
Property Insights of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl thiophene-2-carboxylate
The XLogP value of 1.6675 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl thiophene-2-carboxylate. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl thiophene-2-carboxylate. Following Lipinski's Rule of Five, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl thiophene-2-carboxylate has 0 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-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl thiophene-2-carboxylate?
The CAS number of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl thiophene-2-carboxylate is 432005-86-2.
What is the molecular formula of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl thiophene-2-carboxylate?
The molecular formula of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl thiophene-2-carboxylate is C13H9N3O3S.
What is the molecular weight of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl thiophene-2-carboxylate?
The molecular weight of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl thiophene-2-carboxylate is 287.04 g/mol.
Where can I buy (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl thiophene-2-carboxylate?
You can request a quote for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.