![1-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-proline structure](/static/products/111/111698-98-7.png)
1-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-proline
TL;DR: 1-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-proline (CAS 111698-98-7) is a chemical compound with molecular formula C16H18N4O4 and molecular weight 330.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]pyrrolidine-2-carboxylic acid
Also Known As: 1-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-proline, (2S)-1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]pyrrolidine-2-carboxylic acid, (S)-1-(4-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)butanoyl)pyrrolidine-2-carboxylic acid
| Molecular Formula | C16H18N4O4 |
|---|---|
| Molecular Weight | 330.13 g/mol |
| LogP | 0.6473 |
| Topological Polar Surface Area | 105.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.1328 |
| Heavy Atoms | 24 |
| Complexity | 832.1824 |
Chemical Identifiers
| CAS Number | 111698-98-7 |
|---|---|
| SMILES | C1C[C@H](N(C1)C(=O)CCCN2C(=O)C3=CC=CC=C3N=N2)C(=O)O |
Product Overview
1-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-proline (CAS 111698-98-7), with molecular formula C16H18N4O4 and molecular weight 330.13 g/mol. IUPAC: (2S)-1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of 1-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-proline
Property Insights of 1-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-proline
The XLogP value of 0.6473 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-proline. The TPSA of 105.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-proline. Following Lipinski's Rule of Five, 1-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-proline has 1 hydrogen bond donor(s) and 5 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 1-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-proline?
The CAS number of 1-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-proline is 111698-98-7.
What is the molecular formula of 1-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-proline?
The molecular formula of 1-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-proline is C16H18N4O4.
What is the molecular weight of 1-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-proline?
The molecular weight of 1-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-proline is 330.13 g/mol.
Where can I buy 1-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-proline?
You can request a quote for 1-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-proline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-proline?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-proline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.