3-Phenylmethoxyiminobutan-2-one
TL;DR: 3-Phenylmethoxyiminobutan-2-one (CAS 94783-83-2) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylmethoxyiminobutan-2-one
Also Known As: 3-(benzyloxyimino)butan-2-one, 3-phenylmethoxyiminobutan-2-one, 3-[(benzyloxy)imino]butan-2-one
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 94783-83-2 |
|---|---|
| SMILES | CC(=NOCC1=CC=CC=C1)C(=O)C |
| InChIKey | RPKHFQXMFPSMJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenylmethoxyiminobutan-2-one (CAS 94783-83-2), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: 3-phenylmethoxyiminobutan-2-one.
Chemical Property Profile of 3-Phenylmethoxyiminobutan-2-one
Property Insights of 3-Phenylmethoxyiminobutan-2-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylmethoxyiminobutan-2-one. With a topological polar surface area (TPSA) of 38.7 Ų, 3-Phenylmethoxyiminobutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylmethoxyiminobutan-2-one has 0 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-Phenylmethoxyiminobutan-2-one?
The CAS number of 3-Phenylmethoxyiminobutan-2-one is 94783-83-2.
What is the molecular formula of 3-Phenylmethoxyiminobutan-2-one?
The molecular formula of 3-Phenylmethoxyiminobutan-2-one is C11H13NO2.
What is the molecular weight of 3-Phenylmethoxyiminobutan-2-one?
The molecular weight of 3-Phenylmethoxyiminobutan-2-one is 191.09 g/mol.
Where can I buy 3-Phenylmethoxyiminobutan-2-one?
You can request a quote for 3-Phenylmethoxyiminobutan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylmethoxyiminobutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylmethoxyiminobutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.