![6-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}hexanoic acid structure](/static/products/899/899399-65-6.png)
6-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}hexanoic acid
TL;DR: 6-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}hexanoic acid (CAS 899399-65-6) is a chemical compound with molecular formula C16H20N4O4 and molecular weight 332.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]hexanoic acid
Also Known As: 6-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]hexanoic acid, 6-(3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)hexanoic acid, 6-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}hexanoic acid
| Molecular Formula | C16H20N4O4 |
|---|---|
| Molecular Weight | 332.15 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 332.14847 |
| Heavy Atoms | 24 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 899399-65-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)NCCCCCC(=O)O |
| InChIKey | QHQXDCVOHFVFEO-UHFFFAOYSA-N |
Product Overview
6-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}hexanoic acid (CAS 899399-65-6), with molecular formula C16H20N4O4 and molecular weight 332.15 g/mol. IUPAC: 6-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]hexanoic acid.
Chemical Property Profile of 6-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}hexanoic acid
Property Insights of 6-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}hexanoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}hexanoic acid. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}hexanoic acid. Following Lipinski's Rule of Five, 6-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}hexanoic acid has 2 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 6-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}hexanoic acid?
The CAS number of 6-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}hexanoic acid is 899399-65-6.
What is the molecular formula of 6-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}hexanoic acid?
The molecular formula of 6-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}hexanoic acid is C16H20N4O4.
What is the molecular weight of 6-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}hexanoic acid?
The molecular weight of 6-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}hexanoic acid is 332.15 g/mol.
Where can I buy 6-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}hexanoic acid?
You can request a quote for 6-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}hexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}hexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}hexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.