2-Pentanone, 4-(acetyloxy)-
TL;DR: 2-Pentanone, 4-(acetyloxy)- (CAS 55577-75-8) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxopentan-2-yl acetate
Also Known As: 4-oxopentan-2-yl acetate, Hydracetylaceton-acetat, 4-Acetoxy-2-pentanone, 2-Pentanone, 4-(acetyloxy)-, Acetic acid 1-methyl-3-oxobutyl ester
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 55577-75-8 |
|---|---|
| SMILES | CC(CC(=O)C)OC(=O)C |
| InChIKey | FTFUBYBSJNACIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Pentanone, 4-(acetyloxy)- (CAS 55577-75-8), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: 4-oxopentan-2-yl acetate.
Chemical Property Profile of 2-Pentanone, 4-(acetyloxy)-
Property Insights of 2-Pentanone, 4-(acetyloxy)-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentanone, 4-(acetyloxy)-. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Pentanone, 4-(acetyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentanone, 4-(acetyloxy)- 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-Pentanone, 4-(acetyloxy)-?
The CAS number of 2-Pentanone, 4-(acetyloxy)- is 55577-75-8.
What is the molecular formula of 2-Pentanone, 4-(acetyloxy)-?
The molecular formula of 2-Pentanone, 4-(acetyloxy)- is C7H12O3.
What is the molecular weight of 2-Pentanone, 4-(acetyloxy)-?
The molecular weight of 2-Pentanone, 4-(acetyloxy)- is 144.08 g/mol.
Where can I buy 2-Pentanone, 4-(acetyloxy)-?
You can request a quote for 2-Pentanone, 4-(acetyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentanone, 4-(acetyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentanone, 4-(acetyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.