4-(Carbethoxynitrosamino)butanal
TL;DR: 4-(Carbethoxynitrosamino)butanal (CAS 67924-21-4) is a chemical compound with molecular formula CCOC(=O)N(CCCC=O)N=O and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-nitroso-N-(4-oxobutyl)carbamate
Also Known As: CENAB, 4-(Carboethoxynitrosamino)butanal, 4- butanal, Butanal,4-(nitrosoamino), 4-(Carbethoxynitrosamino)butanal
| Molecular Formula | CCOC(=O)N(CCCC=O)N=O |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 188.07971 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 67924-21-4 |
|---|---|
| SMILES | CCOC(=O)N(CCCC=O)N=O |
| InChIKey | QEYYJZFZVMEDRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Carbethoxynitrosamino)butanal (CAS 67924-21-4), with molecular formula CCOC(=O)N(CCCC=O)N=O and molecular weight 188.08 g/mol. IUPAC: ethyl N-nitroso-N-(4-oxobutyl)carbamate.
Chemical Property Profile of 4-(Carbethoxynitrosamino)butanal
Property Insights of 4-(Carbethoxynitrosamino)butanal
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Carbethoxynitrosamino)butanal. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Carbethoxynitrosamino)butanal. Following Lipinski's Rule of Five, 4-(Carbethoxynitrosamino)butanal has 0 hydrogen bond donor(s) and 5 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)butanal?
The CAS number of 4-(Carbethoxynitrosamino)butanal is 67924-21-4.
What is the molecular formula of 4-(Carbethoxynitrosamino)butanal?
The molecular formula of 4-(Carbethoxynitrosamino)butanal is CCOC(=O)N(CCCC=O)N=O.
What is the molecular weight of 4-(Carbethoxynitrosamino)butanal?
The molecular weight of 4-(Carbethoxynitrosamino)butanal is 188.08 g/mol.
Where can I buy 4-(Carbethoxynitrosamino)butanal?
You can request a quote for 4-(Carbethoxynitrosamino)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)butanal?
Yes, KEHONG BIO provides custom synthesis services for 4-(Carbethoxynitrosamino)butanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.