Pivalolactone
TL;DR: Pivalolactone (CAS 1955-45-9) is a chemical compound with molecular formula C5H8O2 and molecular weight 100.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyloxetan-2-one
Also Known As: PIVALOLACTONE, 3,3-dimethyloxetan-2-one, Pivalolactone., Pivalic acid lactone, Dimethyl propiolactone
| Molecular Formula | C5H8O2 |
|---|---|
| Molecular Weight | 100.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 100.05243 |
| Heavy Atoms | 7 |
| Complexity | 105.0 |
| Solubility | 10 to 50 mg/mL at 66 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 1955-45-9 |
|---|---|
| SMILES | CC1(COC1=O)C |
| InChIKey | ULKFLOVGORAZDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pivalolactone (CAS 1955-45-9), with molecular formula C5H8O2 and molecular weight 100.05 g/mol. IUPAC: 3,3-dimethyloxetan-2-one.
Chemical Property Profile of Pivalolactone
Property Insights of Pivalolactone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pivalolactone. With a topological polar surface area (TPSA) of 26.3 Ų, Pivalolactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pivalolactone has 0 hydrogen bond donor(s) and 2 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 Pivalolactone?
The CAS number of Pivalolactone is 1955-45-9.
What is the molecular formula of Pivalolactone?
The molecular formula of Pivalolactone is C5H8O2.
What is the molecular weight of Pivalolactone?
The molecular weight of Pivalolactone is 100.05 g/mol.
Where can I buy Pivalolactone?
You can request a quote for Pivalolactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pivalolactone?
Yes, KEHONG BIO provides custom synthesis services for Pivalolactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.