4-(Carbethoxynitrosamino)-1-(3-pyridyl)-1-butanone
TL;DR: 4-(Carbethoxynitrosamino)-1-(3-pyridyl)-1-butanone (CAS 68743-68-0) is a chemical compound with molecular formula C12H15N3O4 and molecular weight 265.10626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl N-nitroso-N-(4-oxo-4-pyridin-3-ylbutyl)carbamate
Also Known As: CNAPBO, 4-(Carbethoxynitrosamino)-1-(3-pyridyl)-1-butanone, Ethyl nitroso(4-oxo-4-(3-pyridyl)butyl)carbamate, ethyl N-nitroso-N-(4-oxo-4-pyridin-3-ylbutyl)carbamate, ethyl nitroso[4-oxo-4-(pyridin-3-yl)butyl]carbamate
Technical Specifications
| Molecular Formula | C12H15N3O4 |
| Molecular Weight | 265.10626 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 88.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 265.10626 Da |
| Heavy Atoms | 19 |
| Complexity | 322.0 |
| SMILES | CCOC(=O)N(CCCC(=O)C1=CN=CC=C1)N=O |
| InChIKey | UFWSSCAAHBNZRO-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Carbethoxynitrosamino)-1-(3-pyridyl)-1-butanone
Property Insights of 4-(Carbethoxynitrosamino)-1-(3-pyridyl)-1-butanone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Carbethoxynitrosamino)-1-(3-pyridyl)-1-butanone. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Carbethoxynitrosamino)-1-(3-pyridyl)-1-butanone. Following Lipinski's Rule of Five, 4-(Carbethoxynitrosamino)-1-(3-pyridyl)-1-butanone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(Carbethoxynitrosamino)-1-(3-pyridyl)-1-butanone?
The CAS number of 4-(Carbethoxynitrosamino)-1-(3-pyridyl)-1-butanone is 68743-68-0.
What is the molecular formula of 4-(Carbethoxynitrosamino)-1-(3-pyridyl)-1-butanone?
The molecular formula of 4-(Carbethoxynitrosamino)-1-(3-pyridyl)-1-butanone is C12H15N3O4.
What is the molecular weight of 4-(Carbethoxynitrosamino)-1-(3-pyridyl)-1-butanone?
The molecular weight of 4-(Carbethoxynitrosamino)-1-(3-pyridyl)-1-butanone is 265.10626 g/mol.
Where can I buy 4-(Carbethoxynitrosamino)-1-(3-pyridyl)-1-butanone?
You can request a quote for 4-(Carbethoxynitrosamino)-1-(3-pyridyl)-1-butanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Carbethoxynitrosamino)-1-(3-pyridyl)-1-butanone?
Yes, CoreyChem provides custom synthesis services for 4-(Carbethoxynitrosamino)-1-(3-pyridyl)-1-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.