4-(Carbethoxynitrosamino)-4-(3-pyridyl)butanal
TL;DR: 4-(Carbethoxynitrosamino)-4-(3-pyridyl)butanal (CAS 107759-11-5) is a chemical compound with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-nitroso-N-(4-oxo-1-pyridin-3-ylbutyl)carbamate
Also Known As: CENPBA, 4-(Carbethoxynitrosamino)-4-(3-pyridyl)butanal, ethyl N-nitroso-N-(4-oxo-1-pyridin-3-ylbutyl)carbamate, ethyl nitroso[4-oxo-1-(pyridin-3-yl)butyl]carbamate, RefChem:97384
| Molecular Formula | C12H15N3O4 |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 265.10626 |
| Heavy Atoms | 19 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 107759-11-5 |
|---|---|
| SMILES | CCOC(=O)N(C(CCC=O)C1=CN=CC=C1)N=O |
| InChIKey | SURZCOVZXAXEDL-UHFFFAOYSA-N |
Product Overview
4-(Carbethoxynitrosamino)-4-(3-pyridyl)butanal (CAS 107759-11-5), with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol. IUPAC: ethyl N-nitroso-N-(4-oxo-1-pyridin-3-ylbutyl)carbamate.
Chemical Property Profile of 4-(Carbethoxynitrosamino)-4-(3-pyridyl)butanal
Property Insights of 4-(Carbethoxynitrosamino)-4-(3-pyridyl)butanal
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Carbethoxynitrosamino)-4-(3-pyridyl)butanal. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Carbethoxynitrosamino)-4-(3-pyridyl)butanal. Following Lipinski's Rule of Five, 4-(Carbethoxynitrosamino)-4-(3-pyridyl)butanal 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
Frequently Asked Questions
What is the CAS number of 4-(Carbethoxynitrosamino)-4-(3-pyridyl)butanal?
The CAS number of 4-(Carbethoxynitrosamino)-4-(3-pyridyl)butanal is 107759-11-5.
What is the molecular formula of 4-(Carbethoxynitrosamino)-4-(3-pyridyl)butanal?
The molecular formula of 4-(Carbethoxynitrosamino)-4-(3-pyridyl)butanal is C12H15N3O4.
What is the molecular weight of 4-(Carbethoxynitrosamino)-4-(3-pyridyl)butanal?
The molecular weight of 4-(Carbethoxynitrosamino)-4-(3-pyridyl)butanal is 265.11 g/mol.
Where can I buy 4-(Carbethoxynitrosamino)-4-(3-pyridyl)butanal?
You can request a quote for 4-(Carbethoxynitrosamino)-4-(3-pyridyl)butanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Carbethoxynitrosamino)-4-(3-pyridyl)butanal?
Yes, KEHONG BIO provides custom synthesis services for 4-(Carbethoxynitrosamino)-4-(3-pyridyl)butanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.