2-Propanone, 1-(4,5-dihydro-2-oxazolyl)-
TL;DR: 2-Propanone, 1-(4,5-dihydro-2-oxazolyl)- (CAS 13670-39-8) is a chemical compound with molecular formula C6H9NO2 and molecular weight 127.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-one
Also Known As: 1-(4,5-Dihydrooxazol-2-yl)acetone, 2-Acetonyl-2-oxazolin, 2-Acetonyl-1,3-oxazoline, 1-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-one, 2-(acetylmethyl)-1,3-oxazoline
| Molecular Formula | C6H9NO2 |
|---|---|
| Molecular Weight | 127.06 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 127.06333 |
| Heavy Atoms | 9 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 13670-39-8 |
|---|---|
| SMILES | CC(=O)CC1=NCCO1 |
| InChIKey | MZKKDCLSTQPJPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propanone, 1-(4,5-dihydro-2-oxazolyl)- (CAS 13670-39-8), with molecular formula C6H9NO2 and molecular weight 127.06 g/mol. IUPAC: 1-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-one.
Chemical Property Profile of 2-Propanone, 1-(4,5-dihydro-2-oxazolyl)-
Property Insights of 2-Propanone, 1-(4,5-dihydro-2-oxazolyl)-
The XLogP value of -0.3 indicates that 2-Propanone, 1-(4,5-dihydro-2-oxazolyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.7 Ų, 2-Propanone, 1-(4,5-dihydro-2-oxazolyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanone, 1-(4,5-dihydro-2-oxazolyl)- has 0 hydrogen bond donor(s) and 3 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-Propanone, 1-(4,5-dihydro-2-oxazolyl)-?
The CAS number of 2-Propanone, 1-(4,5-dihydro-2-oxazolyl)- is 13670-39-8.
What is the molecular formula of 2-Propanone, 1-(4,5-dihydro-2-oxazolyl)-?
The molecular formula of 2-Propanone, 1-(4,5-dihydro-2-oxazolyl)- is C6H9NO2.
What is the molecular weight of 2-Propanone, 1-(4,5-dihydro-2-oxazolyl)-?
The molecular weight of 2-Propanone, 1-(4,5-dihydro-2-oxazolyl)- is 127.06 g/mol.
Where can I buy 2-Propanone, 1-(4,5-dihydro-2-oxazolyl)-?
You can request a quote for 2-Propanone, 1-(4,5-dihydro-2-oxazolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanone, 1-(4,5-dihydro-2-oxazolyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone, 1-(4,5-dihydro-2-oxazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.