4-(Ethylnitrosoamino)-4-methylpentan-2-one
TL;DR: 4-(Ethylnitrosoamino)-4-methylpentan-2-one (CAS 5569-45-9) is a chemical compound with molecular formula C8H16N2O2 and molecular weight 172.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-N-(2-methyl-3-oxopentyl)nitrous amide
Also Known As: 1-[ethyl(nitroso)amino]-2-methylpentan-3-one, 4-(Ethylnitrosoamino)-4-methylpentan-2-one, N-ethyl-N-(2-methyl-3-oxopentyl)nitrous amide, 2-ethylamino-2-methyl-N-nitroso-4-pentanone, 4-(ethyl-nitroso-amino)-4-methyl-pentan-2-one
| Molecular Formula | C8H16N2O2 |
|---|---|
| Molecular Weight | 172.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.12119 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 5569-45-9 |
|---|---|
| SMILES | CCC(=O)C(C)CN(CC)N=O |
| InChIKey | JHVHAKCWFZMCRS-UHFFFAOYSA-N |
Product Overview
4-(Ethylnitrosoamino)-4-methylpentan-2-one (CAS 5569-45-9), with molecular formula C8H16N2O2 and molecular weight 172.12 g/mol. IUPAC: N-ethyl-N-(2-methyl-3-oxopentyl)nitrous amide.
Chemical Property Profile of 4-(Ethylnitrosoamino)-4-methylpentan-2-one
Property Insights of 4-(Ethylnitrosoamino)-4-methylpentan-2-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Ethylnitrosoamino)-4-methylpentan-2-one. With a topological polar surface area (TPSA) of 49.7 Ų, 4-(Ethylnitrosoamino)-4-methylpentan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Ethylnitrosoamino)-4-methylpentan-2-one has 0 hydrogen bond donor(s) and 4 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-(Ethylnitrosoamino)-4-methylpentan-2-one?
The CAS number of 4-(Ethylnitrosoamino)-4-methylpentan-2-one is 5569-45-9.
What is the molecular formula of 4-(Ethylnitrosoamino)-4-methylpentan-2-one?
The molecular formula of 4-(Ethylnitrosoamino)-4-methylpentan-2-one is C8H16N2O2.
What is the molecular weight of 4-(Ethylnitrosoamino)-4-methylpentan-2-one?
The molecular weight of 4-(Ethylnitrosoamino)-4-methylpentan-2-one is 172.12 g/mol.
Where can I buy 4-(Ethylnitrosoamino)-4-methylpentan-2-one?
You can request a quote for 4-(Ethylnitrosoamino)-4-methylpentan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Ethylnitrosoamino)-4-methylpentan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Ethylnitrosoamino)-4-methylpentan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.