4,4'-(Propane-1,1-diyl)bis(3-methylisoxazol-5-ol)
TL;DR: 4,4'-(Propane-1,1-diyl)bis(3-methylisoxazol-5-ol) (CAS 346663-34-1) 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-[1-(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)propyl]-2H-1,2-oxazol-5-one
Also Known As: 4,4'-(propane-1,1-diyl)bis(3-methylisoxazol-5-ol), 4,4'-propane-1,1-diylbis(3-methyl-1,2-oxazol-5-ol), 4-[1-(5-hydroxy-3-methyl-4-isoxazolyl)propyl]-3-methyl-5-isoxazolol, 3-methyl-4-[1-(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)propyl]-2H-1,2-oxazol-5-one
| Molecular Formula | C11H14N2O4 |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.09535 |
| Heavy Atoms | 17 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 346663-34-1 |
|---|---|
| SMILES | CCC(C1=C(NOC1=O)C)C2=C(NOC2=O)C |
| InChIKey | ADHDWNHKIPHXKT-UHFFFAOYSA-N |
Product Overview
4,4'-(Propane-1,1-diyl)bis(3-methylisoxazol-5-ol) (CAS 346663-34-1), with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol. IUPAC: 3-methyl-4-[1-(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)propyl]-2H-1,2-oxazol-5-one.
Chemical Property Profile of 4,4'-(Propane-1,1-diyl)bis(3-methylisoxazol-5-ol)
Property Insights of 4,4'-(Propane-1,1-diyl)bis(3-methylisoxazol-5-ol)
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-(Propane-1,1-diyl)bis(3-methylisoxazol-5-ol). The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-(Propane-1,1-diyl)bis(3-methylisoxazol-5-ol). Following Lipinski's Rule of Five, 4,4'-(Propane-1,1-diyl)bis(3-methylisoxazol-5-ol) has 2 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'-(Propane-1,1-diyl)bis(3-methylisoxazol-5-ol)?
The CAS number of 4,4'-(Propane-1,1-diyl)bis(3-methylisoxazol-5-ol) is 346663-34-1.
What is the molecular formula of 4,4'-(Propane-1,1-diyl)bis(3-methylisoxazol-5-ol)?
The molecular formula of 4,4'-(Propane-1,1-diyl)bis(3-methylisoxazol-5-ol) is C11H14N2O4.
What is the molecular weight of 4,4'-(Propane-1,1-diyl)bis(3-methylisoxazol-5-ol)?
The molecular weight of 4,4'-(Propane-1,1-diyl)bis(3-methylisoxazol-5-ol) is 238.10 g/mol.
Where can I buy 4,4'-(Propane-1,1-diyl)bis(3-methylisoxazol-5-ol)?
You can request a quote for 4,4'-(Propane-1,1-diyl)bis(3-methylisoxazol-5-ol) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-(Propane-1,1-diyl)bis(3-methylisoxazol-5-ol)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(Propane-1,1-diyl)bis(3-methylisoxazol-5-ol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.