3-Tert-butylfuran-2,5-dione
TL;DR: 3-Tert-butylfuran-2,5-dione (CAS 18261-07-9) is a chemical compound with molecular formula C8H10O3 and molecular weight 154.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butylfuran-2,5-dione
Also Known As: 3-tert-butylfuran-2,5-dione, 2-tert-Butyl maleic anhydride, 3-(tert-Butyl)furan-2,5-dione, 3-t-butylfuran-2,5-dione, 2-tert-Butylmaleic anhydride
| Molecular Formula | C8H10O3 |
|---|---|
| Molecular Weight | 154.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.06299 |
| Heavy Atoms | 11 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 18261-07-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=O)OC1=O |
| InChIKey | WLUSGOBAJPTJAP-UHFFFAOYSA-N |
Product Overview
3-Tert-butylfuran-2,5-dione (CAS 18261-07-9), with molecular formula C8H10O3 and molecular weight 154.06 g/mol. IUPAC: 3-tert-butylfuran-2,5-dione.
Chemical Property Profile of 3-Tert-butylfuran-2,5-dione
Property Insights of 3-Tert-butylfuran-2,5-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Tert-butylfuran-2,5-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 3-Tert-butylfuran-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tert-butylfuran-2,5-dione 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 3-Tert-butylfuran-2,5-dione?
The CAS number of 3-Tert-butylfuran-2,5-dione is 18261-07-9.
What is the molecular formula of 3-Tert-butylfuran-2,5-dione?
The molecular formula of 3-Tert-butylfuran-2,5-dione is C8H10O3.
What is the molecular weight of 3-Tert-butylfuran-2,5-dione?
The molecular weight of 3-Tert-butylfuran-2,5-dione is 154.06 g/mol.
Where can I buy 3-Tert-butylfuran-2,5-dione?
You can request a quote for 3-Tert-butylfuran-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tert-butylfuran-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butylfuran-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.