(4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloropyridine-3-carboxylate
TL;DR: (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloropyridine-3-carboxylate (CAS 452957-82-3) is a chemical compound with molecular formula C14H9ClN4O3 and molecular weight 316.04 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 2-chloropyridine-3-carboxylate
Also Known As: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-chloropyridine-3-carboxylate, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloropyridine-3-carboxylate
| Molecular Formula | C14H9ClN4O3 |
|---|---|
| Molecular Weight | 316.04 g/mol |
| LogP | 1.6544 |
| Topological Polar Surface Area | 86.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.03632 |
| Heavy Atoms | 22 |
| Complexity | 909.7286 |
Chemical Identifiers
| CAS Number | 452957-82-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=C(N=CC=C3)Cl |
Product Overview
(4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloropyridine-3-carboxylate (CAS 452957-82-3), with molecular formula C14H9ClN4O3 and molecular weight 316.04 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-chloropyridine-3-carboxylate.
Chemical Property Profile of (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloropyridine-3-carboxylate
Property Insights of (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloropyridine-3-carboxylate
The XLogP value of 1.6544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloropyridine-3-carboxylate. The TPSA of 86.97 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloropyridine-3-carboxylate. Following Lipinski's Rule of Five, (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloropyridine-3-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-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloropyridine-3-carboxylate?
The CAS number of (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloropyridine-3-carboxylate is 452957-82-3.
What is the molecular formula of (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloropyridine-3-carboxylate?
The molecular formula of (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloropyridine-3-carboxylate is C14H9ClN4O3.
What is the molecular weight of (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloropyridine-3-carboxylate?
The molecular weight of (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloropyridine-3-carboxylate is 316.04 g/mol.
Where can I buy (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloropyridine-3-carboxylate?
You can request a quote for (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.