![N~2~-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-arginine structure](/static/products/101/1013782-35-8.png)
N~2~-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-arginine
TL;DR: N~2~-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-arginine (CAS 1013782-35-8) is a chemical compound with molecular formula C18H25N7O4 and molecular weight 403.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]pentanoic acid
Also Known As: N~2~-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-arginine, (2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]pentanoic acid, (S)-5-guanidino-2-((S)-3-methyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)butanamido)pentanoic acid
| Molecular Formula | C18H25N7O4 |
|---|---|
| Molecular Weight | 403.20 g/mol |
| LogP | -0.3884 |
| Topological Polar Surface Area | 178.58 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 403.1968 |
| Heavy Atoms | 29 |
| Complexity | 966.0811 |
Chemical Identifiers
| CAS Number | 1013782-35-8 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N1C(=O)C2=CC=CC=C2N=N1 |
Product Overview
N~2~-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-arginine (CAS 1013782-35-8), with molecular formula C18H25N7O4 and molecular weight 403.20 g/mol. IUPAC: (2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]pentanoic acid.
Chemical Property Profile of N~2~-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-arginine
Property Insights of N~2~-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-arginine
The XLogP value of -0.3884 indicates that N~2~-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-arginine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 178.58 Ų indicates high polarity, suggesting N~2~-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-arginine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N~2~-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-arginine has 4 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 N~2~-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-arginine?
The CAS number of N~2~-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-arginine is 1013782-35-8.
What is the molecular formula of N~2~-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-arginine?
The molecular formula of N~2~-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-arginine is C18H25N7O4.
What is the molecular weight of N~2~-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-arginine?
The molecular weight of N~2~-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-arginine is 403.20 g/mol.
Where can I buy N~2~-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-arginine?
You can request a quote for N~2~-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-arginine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~2~-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-arginine?
Yes, KEHONG BIO provides custom synthesis services for N~2~-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-arginine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.