2-Methyl-4-piperonylidene-2-oxazoline-5-one
TL;DR: 2-Methyl-4-piperonylidene-2-oxazoline-5-one (CAS 60470-83-9) is a chemical compound with molecular formula C12H9NO4 and molecular weight 231.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-1,3-oxazol-5-one
Also Known As: 2-Methyl-4-piperonylidene-2-oxazoline-5-one, (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-1,3-oxazol-5-one, 2-methyl-4-(3,4-methylenedioxyphenylmethylene)-5(4H)-oxazolone, 4-(1,3-benzodioxol-5-ylmethylene)-2-methyl-1,3-oxazol-5(4H)-one, 5(4H)-Oxazolone, 4-(1,3-benzodioxol-5-ylmethylene)-2-methyl-
| Molecular Formula | C12H9NO4 |
|---|---|
| Molecular Weight | 231.05 g/mol |
| LogP | 1.7314 |
| Topological Polar Surface Area | 57.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.05316 |
| Heavy Atoms | 17 |
| Complexity | 559.6241 |
Chemical Identifiers
| CAS Number | 60470-83-9 |
|---|---|
| SMILES | CC1=N/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)O1 |
Product Overview
2-Methyl-4-piperonylidene-2-oxazoline-5-one (CAS 60470-83-9), with molecular formula C12H9NO4 and molecular weight 231.05 g/mol. IUPAC: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-1,3-oxazol-5-one.
Chemical Property Profile of 2-Methyl-4-piperonylidene-2-oxazoline-5-one
Property Insights of 2-Methyl-4-piperonylidene-2-oxazoline-5-one
The XLogP value of 1.7314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4-piperonylidene-2-oxazoline-5-one. With a topological polar surface area (TPSA) of 57.12 Ų, 2-Methyl-4-piperonylidene-2-oxazoline-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4-piperonylidene-2-oxazoline-5-one has 0 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 2-Methyl-4-piperonylidene-2-oxazoline-5-one?
The CAS number of 2-Methyl-4-piperonylidene-2-oxazoline-5-one is 60470-83-9.
What is the molecular formula of 2-Methyl-4-piperonylidene-2-oxazoline-5-one?
The molecular formula of 2-Methyl-4-piperonylidene-2-oxazoline-5-one is C12H9NO4.
What is the molecular weight of 2-Methyl-4-piperonylidene-2-oxazoline-5-one?
The molecular weight of 2-Methyl-4-piperonylidene-2-oxazoline-5-one is 231.05 g/mol.
Where can I buy 2-Methyl-4-piperonylidene-2-oxazoline-5-one?
You can request a quote for 2-Methyl-4-piperonylidene-2-oxazoline-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-piperonylidene-2-oxazoline-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-piperonylidene-2-oxazoline-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.