异丁酸酐
TL;DR: 异丁酸酐 (CAS 97-72-3) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异丁酸酐
2-methylpropanoyl 2-methylpropanoate
Also Known As: Isobutyric anhydride, Isobutyric acid anhydride, Isobutyryl anhydride, Isobutyricanhydride, isobutanoic anhydride
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 141.0 |
| Melting Point | -53.5 °C |
| Boiling Point | 181.5 °C @ 734 MM HG |
| Density | 0.9535 @ 20 °C |
| Solubility | SOL IN ALL PROP IN ETHER |
| Flash Point | 59.4 °C (NFPA, 2010) |
| Vapor Pressure | 0.5 [mmHg] |
| Refractive Index | SADTLER REF NUMBER: 11317 (IR, PRISM), V516 (NMR); 1.4061 AT 20 °C |
Chemical Identifiers
| CAS Number | 97-72-3 |
|---|---|
| SMILES | CC(C)C(=O)OC(=O)C(C)C |
| InChIKey | LSACYLWPPQLVSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异丁酸酐 (CAS 97-72-3), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: 2-methylpropanoyl 2-methylpropanoate.
Chemical Property Profile of 异丁酸酐
Property Insights of 异丁酸酐
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异丁酸酐. With a topological polar surface area (TPSA) of 43.4 Ų, 异丁酸酐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丁酸酐 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 异丁酸酐?
The CAS number of 异丁酸酐 is 97-72-3.
What is the molecular formula of 异丁酸酐?
The molecular formula of 异丁酸酐 is C8H14O3.
What is the molecular weight of 异丁酸酐?
The molecular weight of 异丁酸酐 is 158.09 g/mol.
Where can I buy 异丁酸酐?
You can request a quote for 异丁酸酐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丁酸酐?
Yes, KEHONG BIO provides custom synthesis services for 异丁酸酐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.