![(4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-chlorobenzoyl)amino]propanoate structure](/static/products/956/956765-99-4.png)
(4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-chlorobenzoyl)amino]propanoate
TL;DR: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-chlorobenzoyl)amino]propanoate (CAS 956765-99-4) is a chemical compound with molecular formula C18H15ClN4O4 and molecular weight 386.08 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 (2S)-2-[(4-chlorobenzoyl)amino]propanoate
Also Known As: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-chlorobenzoyl)amino]propanoate, (4-Oxo-1,2,3-benzotriazin-3(4H)-yl)methyl N-(4-chlorobenzoyl)-L-alaninate
| Molecular Formula | C18H15ClN4O4 |
|---|---|
| Molecular Weight | 386.08 g/mol |
| LogP | 1.7641 |
| Topological Polar Surface Area | 103.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.0782 |
| Heavy Atoms | 27 |
| Complexity | 1049.161 |
Chemical Identifiers
| CAS Number | 956765-99-4 |
|---|---|
| SMILES | C[C@@H](C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)C3=CC=C(C=C3)Cl |
Product Overview
(4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-chlorobenzoyl)amino]propanoate (CAS 956765-99-4), with molecular formula C18H15ClN4O4 and molecular weight 386.08 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-chlorobenzoyl)amino]propanoate.
Chemical Property Profile of (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-chlorobenzoyl)amino]propanoate
Property Insights of (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-chlorobenzoyl)amino]propanoate
The XLogP value of 1.7641 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-chlorobenzoyl)amino]propanoate. The TPSA of 103.18 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-chlorobenzoyl)amino]propanoate. Following Lipinski's Rule of Five, (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-chlorobenzoyl)amino]propanoate has 1 hydrogen bond donor(s) and 6 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 (2S)-2-[(4-chlorobenzoyl)amino]propanoate?
The CAS number of (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-chlorobenzoyl)amino]propanoate is 956765-99-4.
What is the molecular formula of (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-chlorobenzoyl)amino]propanoate?
The molecular formula of (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-chlorobenzoyl)amino]propanoate is C18H15ClN4O4.
What is the molecular weight of (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-chlorobenzoyl)amino]propanoate?
The molecular weight of (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-chlorobenzoyl)amino]propanoate is 386.08 g/mol.
Where can I buy (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-chlorobenzoyl)amino]propanoate?
You can request a quote for (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-chlorobenzoyl)amino]propanoate 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 (2S)-2-[(4-chlorobenzoyl)amino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(4-chlorobenzoyl)amino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.