1,2-Butanedione, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, 2-oxime, (Z)-
TL;DR: 1,2-Butanedione, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, 2-oxime, (Z)- (CAS 64091-88-9) is a chemical compound with molecular formula C10H12N4O3 and molecular weight 236.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3Z)-3-hydroxyimino-4-oxo-4-pyridin-3-ylbutyl]-N-methylnitrous amide
Also Known As: 2-Hydroxyimino-4-methylnitrosamino-1-(3-pyridyl)-1-butanone, 1,2-Butanedione, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, 2-oxime, (Z)-, N-[(3Z)-3-hydroxyimino-4-oxo-4-pyridin-3-ylbutyl]-N-methylnitrous amide, N-[(3Z)-3-(Hydroxyimino)-4-oxo-4-(pyridin-3-yl)butyl]-N-methylnitrous amide
| Molecular Formula | C10H12N4O3 |
|---|---|
| Molecular Weight | 236.09 g/mol |
| LogP | 1.0978 |
| Topological Polar Surface Area | 95.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 236.09094 |
| Heavy Atoms | 17 |
| Complexity | 418.819 |
Chemical Identifiers
| CAS Number | 64091-88-9 |
|---|---|
| SMILES | CN(CC/C(=N/O)/C(=O)C1=CN=CC=C1)N=O |
Product Overview
1,2-Butanedione, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, 2-oxime, (Z)- (CAS 64091-88-9), with molecular formula C10H12N4O3 and molecular weight 236.09 g/mol. IUPAC: N-[(3Z)-3-hydroxyimino-4-oxo-4-pyridin-3-ylbutyl]-N-methylnitrous amide.
Chemical Property Profile of 1,2-Butanedione, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, 2-oxime, (Z)-
Property Insights of 1,2-Butanedione, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, 2-oxime, (Z)-
The XLogP value of 1.0978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Butanedione, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, 2-oxime, (Z)-. The TPSA of 95.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Butanedione, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, 2-oxime, (Z)-. Following Lipinski's Rule of Five, 1,2-Butanedione, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, 2-oxime, (Z)- 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 1,2-Butanedione, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, 2-oxime, (Z)-?
The CAS number of 1,2-Butanedione, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, 2-oxime, (Z)- is 64091-88-9.
What is the molecular formula of 1,2-Butanedione, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, 2-oxime, (Z)-?
The molecular formula of 1,2-Butanedione, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, 2-oxime, (Z)- is C10H12N4O3.
What is the molecular weight of 1,2-Butanedione, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, 2-oxime, (Z)-?
The molecular weight of 1,2-Butanedione, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, 2-oxime, (Z)- is 236.09 g/mol.
Where can I buy 1,2-Butanedione, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, 2-oxime, (Z)-?
You can request a quote for 1,2-Butanedione, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, 2-oxime, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Butanedione, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, 2-oxime, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Butanedione, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, 2-oxime, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.