4,4'-Isopropylidenebis(3-methyl-2-isoxazolin-5-one)
TL;DR: 4,4'-Isopropylidenebis(3-methyl-2-isoxazolin-5-one) (CAS 21582-51-4) is a chemical compound with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-[2-(3-methyl-5-oxo-4H-1,2-oxazol-4-yl)propan-2-yl]-4H-1,2-oxazol-5-one
Also Known As: 4,4'-Isopropylidenebis(3-methyl-2-isoxazolin-5-one), 2,2-bis(5-isocyanatomethyl-furan-2-yl)propane, J1.393.762A, 4,4 -Isopropylidenebis(3-methyl-2-isoxazolin-5-one), 4,4 -Isopropylidenebis(3-methyl-2-isoxazoline-5-one)
| Molecular Formula | C11H14N2O4 |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.09535 |
| Heavy Atoms | 17 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 21582-51-4 |
|---|---|
| SMILES | CC1=NOC(=O)C1C(C)(C)C2C(=NOC2=O)C |
| InChIKey | YFOREHVJTPMHTM-UHFFFAOYSA-N |
Product Overview
4,4'-Isopropylidenebis(3-methyl-2-isoxazolin-5-one) (CAS 21582-51-4), with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol. IUPAC: 3-methyl-4-[2-(3-methyl-5-oxo-4H-1,2-oxazol-4-yl)propan-2-yl]-4H-1,2-oxazol-5-one.
Chemical Property Profile of 4,4'-Isopropylidenebis(3-methyl-2-isoxazolin-5-one)
Property Insights of 4,4'-Isopropylidenebis(3-methyl-2-isoxazolin-5-one)
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Isopropylidenebis(3-methyl-2-isoxazolin-5-one). The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Isopropylidenebis(3-methyl-2-isoxazolin-5-one). Following Lipinski's Rule of Five, 4,4'-Isopropylidenebis(3-methyl-2-isoxazolin-5-one) has 0 hydrogen bond donor(s) and 6 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 4,4'-Isopropylidenebis(3-methyl-2-isoxazolin-5-one)?
The CAS number of 4,4'-Isopropylidenebis(3-methyl-2-isoxazolin-5-one) is 21582-51-4.
What is the molecular formula of 4,4'-Isopropylidenebis(3-methyl-2-isoxazolin-5-one)?
The molecular formula of 4,4'-Isopropylidenebis(3-methyl-2-isoxazolin-5-one) is C11H14N2O4.
What is the molecular weight of 4,4'-Isopropylidenebis(3-methyl-2-isoxazolin-5-one)?
The molecular weight of 4,4'-Isopropylidenebis(3-methyl-2-isoxazolin-5-one) is 238.10 g/mol.
Where can I buy 4,4'-Isopropylidenebis(3-methyl-2-isoxazolin-5-one)?
You can request a quote for 4,4'-Isopropylidenebis(3-methyl-2-isoxazolin-5-one) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Isopropylidenebis(3-methyl-2-isoxazolin-5-one)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Isopropylidenebis(3-methyl-2-isoxazolin-5-one) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.