beta-Alanine, N-(2-((5-diazo-4-oxopentyl)nitroamino)ethyl)-N-nitro-
TL;DR: beta-Alanine, N-(2-((5-diazo-4-oxopentyl)nitroamino)ethyl)-N-nitro- (CAS 102516-67-6) is a chemical compound with molecular formula C10H16N6O7 and molecular weight 332.10803 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-[(5-diazonio-4-oxopentyl)-nitroamino]ethyl-nitroamino]propanoate
Also Known As: beta-ALANINE, N-(2-((5-DIAZO-4-OXOPENTYL)NITROAMINO)ETHYL)-N-NITRO-, N-(2-((5-Diazo-4-oxopentyl)nitroamino)ethyl)-N-nitro-beta-alanine, 3-[2-[(5-diazonio-4-oxopentyl)-nitroamino]ethyl-nitroamino]propanoate, 3-[{2-[(5-diazonio-4-oxopentyl)(nitro)amino]ethyl}(nitro)amino]propanoate
Technical Specifications
| Molecular Formula | C10H16N6O7 |
| Molecular Weight | 332.10803 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 183.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 332.10803 Da |
| Heavy Atoms | 23 |
| Complexity | 485.0 |
| SMILES | C(CC(=O)C[N+]#N)CN(CCN(CCC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | NXRWOGRWYCNSKK-UHFFFAOYSA-N |
Chemical Property Profile of beta-Alanine, N-(2-((5-diazo-4-oxopentyl)nitroamino)ethyl)-N-nitro-
Property Insights of beta-Alanine, N-(2-((5-diazo-4-oxopentyl)nitroamino)ethyl)-N-nitro-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-(2-((5-diazo-4-oxopentyl)nitroamino)ethyl)-N-nitro-. The TPSA of 183.0 Ų indicates high polarity, suggesting beta-Alanine, N-(2-((5-diazo-4-oxopentyl)nitroamino)ethyl)-N-nitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-Alanine, N-(2-((5-diazo-4-oxopentyl)nitroamino)ethyl)-N-nitro- has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of beta-Alanine, N-(2-((5-diazo-4-oxopentyl)nitroamino)ethyl)-N-nitro-?
The CAS number of beta-Alanine, N-(2-((5-diazo-4-oxopentyl)nitroamino)ethyl)-N-nitro- is 102516-67-6.
What is the molecular formula of beta-Alanine, N-(2-((5-diazo-4-oxopentyl)nitroamino)ethyl)-N-nitro-?
The molecular formula of beta-Alanine, N-(2-((5-diazo-4-oxopentyl)nitroamino)ethyl)-N-nitro- is C10H16N6O7.
What is the molecular weight of beta-Alanine, N-(2-((5-diazo-4-oxopentyl)nitroamino)ethyl)-N-nitro-?
The molecular weight of beta-Alanine, N-(2-((5-diazo-4-oxopentyl)nitroamino)ethyl)-N-nitro- is 332.10803 g/mol.
Where can I buy beta-Alanine, N-(2-((5-diazo-4-oxopentyl)nitroamino)ethyl)-N-nitro-?
You can request a quote for beta-Alanine, N-(2-((5-diazo-4-oxopentyl)nitroamino)ethyl)-N-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for beta-Alanine, N-(2-((5-diazo-4-oxopentyl)nitroamino)ethyl)-N-nitro-?
Yes, CoreyChem provides custom synthesis services for beta-Alanine, N-(2-((5-diazo-4-oxopentyl)nitroamino)ethyl)-N-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.