(S)-4-(2-(Butylnitrosoamino)-1-hydroxyethyl)-6-diazo-2,4-cyclohexadien-1-one
TL;DR: (S)-4-(2-(Butylnitrosoamino)-1-hydroxyethyl)-6-diazo-2,4-cyclohexadien-1-one (CAS 108333-73-9) is a chemical compound with molecular formula C12H16N4O3 and molecular weight 264.12225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(1S)-2-[butyl(nitroso)amino]-1-hydroxyethyl]-2-diazoniophenolate
Also Known As: 3-Diazo-N-nitrosobamethan, Antithrombin III northwick park, (S)-4-(2-(Butylnitrosoamino)-1-hydroxyethyl)-6-diazo-2,4-cyclohexadien-1-one, 4-[(1S)-2-[butyl(nitroso)amino]-1-hydroxyethyl]-2-diazoniophenolate, 2,4-Cyclohexadien-1-one, 4-(2-(butylnitrosoamino)-1-hydroxyethyl)-6-diazo-, (S)-
Technical Specifications
| Molecular Formula | C12H16N4O3 |
| Molecular Weight | 264.12225 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 264.12225 Da |
| Heavy Atoms | 19 |
| Complexity | 330.0 |
| SMILES | CCCCN(C[C@H](C1=CC(=C(C=C1)[O-])[N+]#N)O)N=O |
| InChIKey | XCTWLIUNPSHBSS-GFCCVEGCSA-N |
Chemical Property Profile of (S)-4-(2-(Butylnitrosoamino)-1-hydroxyethyl)-6-diazo-2,4-cyclohexadien-1-one
Property Insights of (S)-4-(2-(Butylnitrosoamino)-1-hydroxyethyl)-6-diazo-2,4-cyclohexadien-1-one
The XLogP value of 3.2 indicates that (S)-4-(2-(Butylnitrosoamino)-1-hydroxyethyl)-6-diazo-2,4-cyclohexadien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-4-(2-(Butylnitrosoamino)-1-hydroxyethyl)-6-diazo-2,4-cyclohexadien-1-one. Following Lipinski's Rule of Five, (S)-4-(2-(Butylnitrosoamino)-1-hydroxyethyl)-6-diazo-2,4-cyclohexadien-1-one has 1 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 (S)-4-(2-(Butylnitrosoamino)-1-hydroxyethyl)-6-diazo-2,4-cyclohexadien-1-one?
The CAS number of (S)-4-(2-(Butylnitrosoamino)-1-hydroxyethyl)-6-diazo-2,4-cyclohexadien-1-one is 108333-73-9.
What is the molecular formula of (S)-4-(2-(Butylnitrosoamino)-1-hydroxyethyl)-6-diazo-2,4-cyclohexadien-1-one?
The molecular formula of (S)-4-(2-(Butylnitrosoamino)-1-hydroxyethyl)-6-diazo-2,4-cyclohexadien-1-one is C12H16N4O3.
What is the molecular weight of (S)-4-(2-(Butylnitrosoamino)-1-hydroxyethyl)-6-diazo-2,4-cyclohexadien-1-one?
The molecular weight of (S)-4-(2-(Butylnitrosoamino)-1-hydroxyethyl)-6-diazo-2,4-cyclohexadien-1-one is 264.12225 g/mol.
Where can I buy (S)-4-(2-(Butylnitrosoamino)-1-hydroxyethyl)-6-diazo-2,4-cyclohexadien-1-one?
You can request a quote for (S)-4-(2-(Butylnitrosoamino)-1-hydroxyethyl)-6-diazo-2,4-cyclohexadien-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-4-(2-(Butylnitrosoamino)-1-hydroxyethyl)-6-diazo-2,4-cyclohexadien-1-one?
Yes, CoreyChem provides custom synthesis services for (S)-4-(2-(Butylnitrosoamino)-1-hydroxyethyl)-6-diazo-2,4-cyclohexadien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.