Nitrosoalanylalanine
TL;DR: Nitrosoalanylalanine (CAS 85514-00-7) is a chemical compound with molecular formula C6H11N3O4 and molecular weight 189.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[2-(2-oxohydrazinyl)propanoylamino]propanoic acid
Also Known As: Nitrosoalanylalanine, N-(N-Nitroso-L-alanyl)-L-alanine, L-ALANINE, N-(N-NITROSO-L-ALANYL)-, (2S)-2-[2-(2-oxohydrazinyl)propanoylamino]propanoic acid, N-[1-Hydroxy-2-(hydroxydiazenyl)propylidene]alanine
| Molecular Formula | C6H11N3O4 |
|---|---|
| Molecular Weight | 189.07 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.07495 |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 85514-00-7 |
|---|---|
| SMILES | C[C@@H](C(=O)O)NC(=O)C(C)NN=O |
| InChIKey | GJCIODVHMSABON-BKLSDQPFSA-N |
Product Overview
Nitrosoalanylalanine (CAS 85514-00-7), with molecular formula C6H11N3O4 and molecular weight 189.07 g/mol. IUPAC: (2S)-2-[2-(2-oxohydrazinyl)propanoylamino]propanoic acid.
Chemical Property Profile of Nitrosoalanylalanine
Property Insights of Nitrosoalanylalanine
The XLogP value of -0.2 indicates that Nitrosoalanylalanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitrosoalanylalanine. Following Lipinski's Rule of Five, Nitrosoalanylalanine has 3 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 Nitrosoalanylalanine?
The CAS number of Nitrosoalanylalanine is 85514-00-7.
What is the molecular formula of Nitrosoalanylalanine?
The molecular formula of Nitrosoalanylalanine is C6H11N3O4.
What is the molecular weight of Nitrosoalanylalanine?
The molecular weight of Nitrosoalanylalanine is 189.07 g/mol.
Where can I buy Nitrosoalanylalanine?
You can request a quote for Nitrosoalanylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitrosoalanylalanine?
Yes, KEHONG BIO provides custom synthesis services for Nitrosoalanylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.