tert-Butyl 2,4-dimethyl-5-methylidene-4,5-dihydrofuran-3-carboxylate
TL;DR: tert-Butyl 2,4-dimethyl-5-methylidene-4,5-dihydrofuran-3-carboxylate (CAS 68067-15-2) is a chemical compound with molecular formula C12H18O3 and molecular weight 210.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3,5-dimethyl-2-methylidene-3H-furan-4-carboxylate
Also Known As: tert-Butyl 2,4-dimethyl-5-methylidene-4,5-dihydrofuran-3-carboxylate, tert-butyl 3,5-dimethyl-2-methylidene-3H-furan-4-carboxylate, tert-butyl 2,4-dimethyl-5-methylene-4,5-dihydro-3-furancarboxylate, 2,4-dimethyl-5-methylene-4H-furan-3-carboxylic acid tert-butyl ester, TERT-BUTYL 2,4-DIMETHYL-5-METHYLIDENE-4H-FURAN-3-CARBOXYLATE
| Molecular Formula | C12H18O3 |
|---|---|
| Molecular Weight | 210.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.1256 |
| Heavy Atoms | 15 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 68067-15-2 |
|---|---|
| SMILES | CC1C(=C)OC(=C1C(=O)OC(C)(C)C)C |
| InChIKey | VBACKFUPOWVNNZ-UHFFFAOYSA-N |
Product Overview
tert-Butyl 2,4-dimethyl-5-methylidene-4,5-dihydrofuran-3-carboxylate (CAS 68067-15-2), with molecular formula C12H18O3 and molecular weight 210.13 g/mol. IUPAC: tert-butyl 3,5-dimethyl-2-methylidene-3H-furan-4-carboxylate.
Chemical Property Profile of tert-Butyl 2,4-dimethyl-5-methylidene-4,5-dihydrofuran-3-carboxylate
Property Insights of tert-Butyl 2,4-dimethyl-5-methylidene-4,5-dihydrofuran-3-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 2,4-dimethyl-5-methylidene-4,5-dihydrofuran-3-carboxylate. With a topological polar surface area (TPSA) of 35.5 Ų, tert-Butyl 2,4-dimethyl-5-methylidene-4,5-dihydrofuran-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 2,4-dimethyl-5-methylidene-4,5-dihydrofuran-3-carboxylate 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 tert-Butyl 2,4-dimethyl-5-methylidene-4,5-dihydrofuran-3-carboxylate?
The CAS number of tert-Butyl 2,4-dimethyl-5-methylidene-4,5-dihydrofuran-3-carboxylate is 68067-15-2.
What is the molecular formula of tert-Butyl 2,4-dimethyl-5-methylidene-4,5-dihydrofuran-3-carboxylate?
The molecular formula of tert-Butyl 2,4-dimethyl-5-methylidene-4,5-dihydrofuran-3-carboxylate is C12H18O3.
What is the molecular weight of tert-Butyl 2,4-dimethyl-5-methylidene-4,5-dihydrofuran-3-carboxylate?
The molecular weight of tert-Butyl 2,4-dimethyl-5-methylidene-4,5-dihydrofuran-3-carboxylate is 210.13 g/mol.
Where can I buy tert-Butyl 2,4-dimethyl-5-methylidene-4,5-dihydrofuran-3-carboxylate?
You can request a quote for tert-Butyl 2,4-dimethyl-5-methylidene-4,5-dihydrofuran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 2,4-dimethyl-5-methylidene-4,5-dihydrofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 2,4-dimethyl-5-methylidene-4,5-dihydrofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.