2-Cyclohexadien-1-one, 4-(2-(butylnitrosoamino)-1-hydroxyethyl)-6-diazo-, (R)-
TL;DR: 2-Cyclohexadien-1-one, 4-(2-(butylnitrosoamino)-1-hydroxyethyl)-6-diazo-, (R)- (CAS 108333-74-0) is a chemical compound with molecular formula C12H16N4O3 and molecular weight 264.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1R)-2-[butyl(nitroso)amino]-1-hydroxyethyl]-2-diazoniophenolate
Also Known As: 3-Diazo-N-nitrosobamethan, Antithrombin III northwick park, J3.060.945J, 4-[(1R)-2-[butyl(nitroso)amino]-1-hydroxyethyl]-2-diazoniophenolate, 1-(3-Diazo-4-oxo-1,5-cyclohexadienyl)-1-hydroxy-2-(N-nitrosobutylamino)ethane
| Molecular Formula | C12H16N4O3 |
|---|---|
| Molecular Weight | 264.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 264.12225 |
| Heavy Atoms | 19 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 108333-74-0 |
|---|---|
| SMILES | CCCCN(C[C@@H](C1=CC(=C(C=C1)[O-])[N+]#N)O)N=O |
| InChIKey | XCTWLIUNPSHBSS-LBPRGKRZSA-N |
Product Overview
2-Cyclohexadien-1-one, 4-(2-(butylnitrosoamino)-1-hydroxyethyl)-6-diazo-, (R)- (CAS 108333-74-0), with molecular formula C12H16N4O3 and molecular weight 264.12 g/mol. IUPAC: 4-[(1R)-2-[butyl(nitroso)amino]-1-hydroxyethyl]-2-diazoniophenolate.
Chemical Property Profile of 2-Cyclohexadien-1-one, 4-(2-(butylnitrosoamino)-1-hydroxyethyl)-6-diazo-, (R)-
Property Insights of 2-Cyclohexadien-1-one, 4-(2-(butylnitrosoamino)-1-hydroxyethyl)-6-diazo-, (R)-
The XLogP value of 3.2 indicates that 2-Cyclohexadien-1-one, 4-(2-(butylnitrosoamino)-1-hydroxyethyl)-6-diazo-, (R)- 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 2-Cyclohexadien-1-one, 4-(2-(butylnitrosoamino)-1-hydroxyethyl)-6-diazo-, (R)-. Following Lipinski's Rule of Five, 2-Cyclohexadien-1-one, 4-(2-(butylnitrosoamino)-1-hydroxyethyl)-6-diazo-, (R)- 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
Frequently Asked Questions
What is the CAS number of 2-Cyclohexadien-1-one, 4-(2-(butylnitrosoamino)-1-hydroxyethyl)-6-diazo-, (R)-?
The CAS number of 2-Cyclohexadien-1-one, 4-(2-(butylnitrosoamino)-1-hydroxyethyl)-6-diazo-, (R)- is 108333-74-0.
What is the molecular formula of 2-Cyclohexadien-1-one, 4-(2-(butylnitrosoamino)-1-hydroxyethyl)-6-diazo-, (R)-?
The molecular formula of 2-Cyclohexadien-1-one, 4-(2-(butylnitrosoamino)-1-hydroxyethyl)-6-diazo-, (R)- is C12H16N4O3.
What is the molecular weight of 2-Cyclohexadien-1-one, 4-(2-(butylnitrosoamino)-1-hydroxyethyl)-6-diazo-, (R)-?
The molecular weight of 2-Cyclohexadien-1-one, 4-(2-(butylnitrosoamino)-1-hydroxyethyl)-6-diazo-, (R)- is 264.12 g/mol.
Where can I buy 2-Cyclohexadien-1-one, 4-(2-(butylnitrosoamino)-1-hydroxyethyl)-6-diazo-, (R)-?
You can request a quote for 2-Cyclohexadien-1-one, 4-(2-(butylnitrosoamino)-1-hydroxyethyl)-6-diazo-, (R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexadien-1-one, 4-(2-(butylnitrosoamino)-1-hydroxyethyl)-6-diazo-, (R)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexadien-1-one, 4-(2-(butylnitrosoamino)-1-hydroxyethyl)-6-diazo-, (R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.