![3-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4(3H)-one structure](/static/products/117/1173680-55-1.webp)
3-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4(3H)-one
TL;DR: 3-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4(3H)-one (CAS 1173680-55-1) is a chemical compound with molecular formula C16H20N4O2 and molecular weight 300.15863 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one
Also Known As: (S)-3-(1-(azepan-1-yl)-1-oxopropan-2-yl)benzo[d][1,2,3]triazin-4(3H)-one, 3-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4(3H)-one
Technical Specifications
| Molecular Formula | C16H20N4O2 |
| Molecular Weight | 300.15863 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 65.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.15863 Da |
| Heavy Atoms | 22 |
| Complexity | 457.0 |
| SMILES | C[C@@H](C(=O)N1CCCCCC1)N2C(=O)C3=CC=CC=C3N=N2 |
| InChIKey | FKMOOKSGQMENOZ-LBPRGKRZSA-N |
Chemical Property Profile of 3-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4(3H)-one
Property Insights of 3-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4(3H)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4(3H)-one. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4(3H)-one. Following Lipinski's Rule of Five, 3-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4(3H)-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-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4(3H)-one?
The CAS number of 3-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4(3H)-one is 1173680-55-1.
What is the molecular formula of 3-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4(3H)-one?
The molecular formula of 3-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4(3H)-one is C16H20N4O2.
What is the molecular weight of 3-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4(3H)-one?
The molecular weight of 3-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4(3H)-one is 300.15863 g/mol.
Where can I buy 3-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4(3H)-one?
You can request a quote for 3-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4(3H)-one?
Yes, CoreyChem provides custom synthesis services for 3-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.