1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene
TL;DR: 1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene (CAS 64682-37-7) is a chemical compound with molecular formula C16H20N2O2 and molecular weight 272.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
Also Known As: 1,3-bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene, NCI60_035780, 1,3-Bis(4,4-dimethyl-2-oxazolin-2-yl)benzene, 1,3-Bis(4,4-dimethyl-2-oxazoline-2-yl)benzene, 2,2 -m-Phenylenebis(4,4-dimethyl-2-oxazoline)
| Molecular Formula | C16H20N2O2 |
|---|---|
| Molecular Weight | 272.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.15247 |
| Heavy Atoms | 20 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 64682-37-7 |
|---|---|
| SMILES | CC1(COC(=N1)C2=CC(=CC=C2)C3=NC(CO3)(C)C)C |
| InChIKey | MUBZACKCHQIRSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene (CAS 64682-37-7), with molecular formula C16H20N2O2 and molecular weight 272.15 g/mol. IUPAC: 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.
Chemical Property Profile of 1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene
Property Insights of 1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene. With a topological polar surface area (TPSA) of 43.2 Ų, 1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene has 0 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 1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene?
The CAS number of 1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene is 64682-37-7.
What is the molecular formula of 1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene?
The molecular formula of 1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene is C16H20N2O2.
What is the molecular weight of 1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene?
The molecular weight of 1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene is 272.15 g/mol.
Where can I buy 1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene?
You can request a quote for 1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.