3-(3-Methoxypropyl)-1,2,3-benzotriazin-4-one
TL;DR: 3-(3-Methoxypropyl)-1,2,3-benzotriazin-4-one (CAS 15561-78-1) is a chemical compound with molecular formula C11H13N3O2 and molecular weight 219.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-methoxypropyl)-1,2,3-benzotriazin-4-one
Also Known As: 3-(3-methoxypropyl)-1,2,3-benzotriazin-4-one, 3-(3-Methoxypropyl)-1,2,3-benzotriazin-4(3H)-one, 1,2,3-Benzotriazin-4(3H)-one, 3-(3-methoxypropyl)-
Technical Specifications
| Molecular Formula | C11H13N3O2 |
| Molecular Weight | 219.10077 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 54.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.10077 Da |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
| SMILES | COCCCN1C(=O)C2=CC=CC=C2N=N1 |
| InChIKey | HDDSMYUSTYCIQC-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-Methoxypropyl)-1,2,3-benzotriazin-4-one
Property Insights of 3-(3-Methoxypropyl)-1,2,3-benzotriazin-4-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Methoxypropyl)-1,2,3-benzotriazin-4-one. With a topological polar surface area (TPSA) of 54.3 Ų, 3-(3-Methoxypropyl)-1,2,3-benzotriazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Methoxypropyl)-1,2,3-benzotriazin-4-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(3-Methoxypropyl)-1,2,3-benzotriazin-4-one?
The CAS number of 3-(3-Methoxypropyl)-1,2,3-benzotriazin-4-one is 15561-78-1.
What is the molecular formula of 3-(3-Methoxypropyl)-1,2,3-benzotriazin-4-one?
The molecular formula of 3-(3-Methoxypropyl)-1,2,3-benzotriazin-4-one is C11H13N3O2.
What is the molecular weight of 3-(3-Methoxypropyl)-1,2,3-benzotriazin-4-one?
The molecular weight of 3-(3-Methoxypropyl)-1,2,3-benzotriazin-4-one is 219.10077 g/mol.
Where can I buy 3-(3-Methoxypropyl)-1,2,3-benzotriazin-4-one?
You can request a quote for 3-(3-Methoxypropyl)-1,2,3-benzotriazin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-Methoxypropyl)-1,2,3-benzotriazin-4-one?
Yes, CoreyChem provides custom synthesis services for 3-(3-Methoxypropyl)-1,2,3-benzotriazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.