(4-Oxo-1,2,3-benzotriazin-3-yl)methyl cyclohexanecarboxylate
TL;DR: (4-Oxo-1,2,3-benzotriazin-3-yl)methyl cyclohexanecarboxylate (CAS 379715-89-6) is a chemical compound with molecular formula C15H17N3O3 and molecular weight 287.13 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 cyclohexanecarboxylate
Also Known As: BAS 03547982, (4-oxo-1,2,3-benzotriazin-3-yl)methyl cyclohexanecarboxylate, (4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl cyclohexanecarboxylate, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl cyclohexanecarboxylate, Cyclohexanecarboxylic acid 4-oxo-4H-benzo[d][1,2,3]triazin-3-ylmethyl ester
| Molecular Formula | C15H17N3O3 |
|---|---|
| Molecular Weight | 287.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.12698 |
| Heavy Atoms | 21 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 379715-89-6 |
|---|---|
| SMILES | C1CCC(CC1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2 |
| InChIKey | SUILEKBBLIRPOY-UHFFFAOYSA-N |
Product Overview
(4-Oxo-1,2,3-benzotriazin-3-yl)methyl cyclohexanecarboxylate (CAS 379715-89-6), with molecular formula C15H17N3O3 and molecular weight 287.13 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl cyclohexanecarboxylate.
Chemical Property Profile of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl cyclohexanecarboxylate
Property Insights of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl cyclohexanecarboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl cyclohexanecarboxylate. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl cyclohexanecarboxylate. Following Lipinski's Rule of Five, (4-Oxo-1,2,3-benzotriazin-3-yl)methyl cyclohexanecarboxylate has 0 hydrogen bond donor(s) and 5 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 cyclohexanecarboxylate?
The CAS number of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl cyclohexanecarboxylate is 379715-89-6.
What is the molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl cyclohexanecarboxylate?
The molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl cyclohexanecarboxylate is C15H17N3O3.
What is the molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl cyclohexanecarboxylate?
The molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl cyclohexanecarboxylate is 287.13 g/mol.
Where can I buy (4-Oxo-1,2,3-benzotriazin-3-yl)methyl cyclohexanecarboxylate?
You can request a quote for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl cyclohexanecarboxylate 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 cyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.