Pinacolone oxime
TL;DR: Pinacolone oxime (CAS 103411-56-9) is a chemical compound with molecular formula C6H13NO and molecular weight 115.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-(3,3-dimethylbutan-2-ylidene)hydroxylamine
Also Known As: Pinacolone oxime, PINACOLONEOXIME, 3,3-Dimethyl-2-butanone oxime, Pinacolin Oxime, Pinakolinoxim
| Molecular Formula | C6H13NO |
|---|---|
| Molecular Weight | 115.10 g/mol |
| LogP | 1.8826 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 115.09972 |
| Heavy Atoms | 8 |
| Complexity | 99.58639 |
Chemical Identifiers
| CAS Number | 103411-56-9 |
|---|---|
| SMILES | C/C(=N\O)/C(C)(C)C |
Product Overview
Pinacolone oxime (CAS 103411-56-9), with molecular formula C6H13NO and molecular weight 115.10 g/mol. IUPAC: (NE)-N-(3,3-dimethylbutan-2-ylidene)hydroxylamine.
Chemical Property Profile of Pinacolone oxime
Property Insights of Pinacolone oxime
The XLogP value of 1.8826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pinacolone oxime. With a topological polar surface area (TPSA) of 32.59 Ų, Pinacolone oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pinacolone oxime has 1 hydrogen bond donor(s) and 2 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 Pinacolone oxime?
The CAS number of Pinacolone oxime is 103411-56-9.
What is the molecular formula of Pinacolone oxime?
The molecular formula of Pinacolone oxime is C6H13NO.
What is the molecular weight of Pinacolone oxime?
The molecular weight of Pinacolone oxime is 115.10 g/mol.
Where can I buy Pinacolone oxime?
You can request a quote for Pinacolone oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pinacolone oxime?
Yes, KEHONG BIO provides custom synthesis services for Pinacolone oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.