Acetone, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime
TL;DR: Acetone, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime (CAS 97805-01-1) is a chemical compound with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(propan-2-ylideneamino) N-(1,3-benzodioxol-5-yl)carbamate
Also Known As: ACETONE, O-((1,3-BENZODIOXOL-5-YL)CARBAMOYL)OXIME, 3,4-Methylenedioxycarbanylic acid, ester with acetone oxime, ACETONE,O-((1,3-BENZODIOXOL-5-YL)CARBAMOYL)OXIME, (propan-2-ylideneamino) N-(1,3-benzodioxol-5-yl)carbamate, [(2H-1,3-Benzodioxol-5-yl)amino]{[(propan-2-ylidene)amino]oxy}methanone
| Molecular Formula | C11H12N2O4 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 69.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.07971 |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 97805-01-1 |
|---|---|
| SMILES | CC(=NOC(=O)NC1=CC2=C(C=C1)OCO2)C |
| InChIKey | WXLQUUWBNPVNPE-UHFFFAOYSA-N |
Product Overview
Acetone, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime (CAS 97805-01-1), with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol. IUPAC: (propan-2-ylideneamino) N-(1,3-benzodioxol-5-yl)carbamate.
Chemical Property Profile of Acetone, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime
Property Insights of Acetone, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetone, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetone, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime. Following Lipinski's Rule of Five, Acetone, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime has 1 hydrogen bond donor(s) and 5 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 Acetone, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime?
The CAS number of Acetone, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime is 97805-01-1.
What is the molecular formula of Acetone, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime?
The molecular formula of Acetone, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime is C11H12N2O4.
What is the molecular weight of Acetone, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime?
The molecular weight of Acetone, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime is 236.08 g/mol.
Where can I buy Acetone, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime?
You can request a quote for Acetone, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetone, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for Acetone, O-((1,3-benzodioxol-5-yl)carbamoyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.