(3-oxobutan-2-ylideneamino) N-phenylcarbamate
TL;DR: (3-oxobutan-2-ylideneamino) N-phenylcarbamate (CAS 5396-74-7) is a chemical compound with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-oxobutan-2-ylideneamino) N-phenylcarbamate
Also Known As: (3-oxobutan-2-ylideneamino) N-phenylcarbamate, 3-{[(phenylcarbamoyl)oxy]imino}butan-2-one
| Molecular Formula | C11H12N2O3 |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.0848 |
| Heavy Atoms | 16 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 5396-74-7 |
|---|---|
| SMILES | CC(=NOC(=O)NC1=CC=CC=C1)C(=O)C |
| InChIKey | LSIZRCDEIBSHGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-oxobutan-2-ylideneamino) N-phenylcarbamate (CAS 5396-74-7), with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol. IUPAC: (3-oxobutan-2-ylideneamino) N-phenylcarbamate.
Chemical Property Profile of (3-oxobutan-2-ylideneamino) N-phenylcarbamate
Property Insights of (3-oxobutan-2-ylideneamino) N-phenylcarbamate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-oxobutan-2-ylideneamino) N-phenylcarbamate. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-oxobutan-2-ylideneamino) N-phenylcarbamate. Following Lipinski's Rule of Five, (3-oxobutan-2-ylideneamino) N-phenylcarbamate has 1 hydrogen bond donor(s) and 4 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-oxobutan-2-ylideneamino) N-phenylcarbamate?
The CAS number of (3-oxobutan-2-ylideneamino) N-phenylcarbamate is 5396-74-7.
What is the molecular formula of (3-oxobutan-2-ylideneamino) N-phenylcarbamate?
The molecular formula of (3-oxobutan-2-ylideneamino) N-phenylcarbamate is C11H12N2O3.
What is the molecular weight of (3-oxobutan-2-ylideneamino) N-phenylcarbamate?
The molecular weight of (3-oxobutan-2-ylideneamino) N-phenylcarbamate is 220.08 g/mol.
Where can I buy (3-oxobutan-2-ylideneamino) N-phenylcarbamate?
You can request a quote for (3-oxobutan-2-ylideneamino) N-phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-oxobutan-2-ylideneamino) N-phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (3-oxobutan-2-ylideneamino) N-phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.