(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
TL;DR: (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate (CAS 454668-37-2) is a chemical compound with molecular formula C20H20N4O5S and molecular weight 428.12 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 4-piperidin-1-ylsulfonylbenzoate
Also Known As: F0624-0098, (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 4-(piperidine-1-sulfonyl)benzoate, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 4-(piperidin-1-ylsulfonyl)benzoate, oxo-p-[(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methoxycarbonyl]phenylpiperidino-lambda-sulfaniumolate
| Molecular Formula | C20H20N4O5S |
|---|---|
| Molecular Weight | 428.12 g/mol |
| LogP | 1.7806 |
| Topological Polar Surface Area | 111.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.11545 |
| Heavy Atoms | 30 |
| Complexity | 1232.0366 |
Chemical Identifiers
| CAS Number | 454668-37-2 |
|---|---|
| SMILES | C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3 |
Product Overview
(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate (CAS 454668-37-2), with molecular formula C20H20N4O5S and molecular weight 428.12 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate.
Chemical Property Profile of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
Property Insights of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
The XLogP value of 1.7806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate. The TPSA of 111.46 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate. Following Lipinski's Rule of Five, (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate has 0 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 (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate?
The CAS number of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate is 454668-37-2.
What is the molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate?
The molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate is C20H20N4O5S.
What is the molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate?
The molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate is 428.12 g/mol.
Where can I buy (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate?
You can request a quote for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.