(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbutanoate
TL;DR: (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbutanoate (CAS 851862-97-0) is a chemical compound with molecular formula C18H17N3O3 and molecular weight 323.13 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 4-phenylbutanoate
Also Known As: ChemDiv3_009006, IDI1_026916, (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbutanoate, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 4-phenylbutanoate, BRD-K78465946-001-01-2
| Molecular Formula | C18H17N3O3 |
|---|---|
| Molecular Weight | 323.13 g/mol |
| LogP | 2.3151 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.12698 |
| Heavy Atoms | 24 |
| Complexity | 890.6545 |
Chemical Identifiers
| CAS Number | 851862-97-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2 |
Product Overview
(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbutanoate (CAS 851862-97-0), with molecular formula C18H17N3O3 and molecular weight 323.13 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbutanoate.
Chemical Property Profile of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbutanoate
Property Insights of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbutanoate
The XLogP value of 2.3151 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbutanoate. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbutanoate. Following Lipinski's Rule of Five, (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbutanoate 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 4-phenylbutanoate?
The CAS number of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbutanoate is 851862-97-0.
What is the molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbutanoate?
The molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbutanoate is C18H17N3O3.
What is the molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbutanoate?
The molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbutanoate is 323.13 g/mol.
Where can I buy (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbutanoate?
You can request a quote for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbutanoate 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-phenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.