(4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloro-5-nitrobenzoate
TL;DR: (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloro-5-nitrobenzoate (CAS 481645-83-4) is a chemical compound with molecular formula C15H9ClN4O5 and molecular weight 360.03 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-chloro-5-nitrobenzoate
Also Known As: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-chloro-5-nitrobenzoate, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloro-5-nitrobenzoate, F0624-0029, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-chloro-5-nitrobenzoate
| Molecular Formula | C15H9ClN4O5 |
|---|---|
| Molecular Weight | 360.03 g/mol |
| LogP | 2.1676 |
| Topological Polar Surface Area | 117.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.02615 |
| Heavy Atoms | 25 |
| Complexity | 1049.5164 |
Chemical Identifiers
| CAS Number | 481645-83-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
(4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloro-5-nitrobenzoate (CAS 481645-83-4), with molecular formula C15H9ClN4O5 and molecular weight 360.03 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-chloro-5-nitrobenzoate.
Chemical Property Profile of (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloro-5-nitrobenzoate
Property Insights of (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloro-5-nitrobenzoate
The XLogP value of 2.1676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloro-5-nitrobenzoate. The TPSA of 117.22 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-chloro-5-nitrobenzoate. Following Lipinski's Rule of Five, (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloro-5-nitrobenzoate 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-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloro-5-nitrobenzoate?
The CAS number of (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloro-5-nitrobenzoate is 481645-83-4.
What is the molecular formula of (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloro-5-nitrobenzoate?
The molecular formula of (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloro-5-nitrobenzoate is C15H9ClN4O5.
What is the molecular weight of (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloro-5-nitrobenzoate?
The molecular weight of (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloro-5-nitrobenzoate is 360.03 g/mol.
Where can I buy (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloro-5-nitrobenzoate?
You can request a quote for (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloro-5-nitrobenzoate 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-chloro-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-chloro-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.