3-Pentanone, O-((methylamino)carbonyl)oxime
TL;DR: 3-Pentanone, O-((methylamino)carbonyl)oxime (CAS 85559-98-4) is a chemical compound with molecular formula C7H14N2O2 and molecular weight 158.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(pentan-3-ylideneamino) N-methylcarbamate
Also Known As: 4-Iodospiperone, 3-Pentanone, O-((methylamino)carbonyl)oxime, (pentan-3-ylideneamino) N-methylcarbamate, (Methylamino){[(pentan-3-ylidene)amino]oxy}methanone
| Molecular Formula | C7H14N2O2 |
|---|---|
| Molecular Weight | 158.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.10553 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 85559-98-4 |
|---|---|
| SMILES | CCC(=NOC(=O)NC)CC |
| InChIKey | PAPRITUKRFLAIZ-UHFFFAOYSA-N |
Product Overview
3-Pentanone, O-((methylamino)carbonyl)oxime (CAS 85559-98-4), with molecular formula C7H14N2O2 and molecular weight 158.11 g/mol. IUPAC: (pentan-3-ylideneamino) N-methylcarbamate.
Chemical Property Profile of 3-Pentanone, O-((methylamino)carbonyl)oxime
Property Insights of 3-Pentanone, O-((methylamino)carbonyl)oxime
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pentanone, O-((methylamino)carbonyl)oxime. With a topological polar surface area (TPSA) of 50.7 Ų, 3-Pentanone, O-((methylamino)carbonyl)oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pentanone, O-((methylamino)carbonyl)oxime has 1 hydrogen bond donor(s) and 3 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 3-Pentanone, O-((methylamino)carbonyl)oxime?
The CAS number of 3-Pentanone, O-((methylamino)carbonyl)oxime is 85559-98-4.
What is the molecular formula of 3-Pentanone, O-((methylamino)carbonyl)oxime?
The molecular formula of 3-Pentanone, O-((methylamino)carbonyl)oxime is C7H14N2O2.
What is the molecular weight of 3-Pentanone, O-((methylamino)carbonyl)oxime?
The molecular weight of 3-Pentanone, O-((methylamino)carbonyl)oxime is 158.11 g/mol.
Where can I buy 3-Pentanone, O-((methylamino)carbonyl)oxime?
You can request a quote for 3-Pentanone, O-((methylamino)carbonyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pentanone, O-((methylamino)carbonyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentanone, O-((methylamino)carbonyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.