Isopropyl 2-furoate
TL;DR: Isopropyl 2-furoate (CAS 6270-34-4) 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.
propan-2-yl furan-2-carboxylate
Also Known As: Isopropyl 2-furoate, Isopropyl furoate, propan-2-yl furan-2-carboxylate, isopropyl furan-2-carboxylate, 2-Furoic acid, isopropyl ester
| Molecular Formula | C8H10O3 |
|---|---|
| Molecular Weight | 154.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.06299 |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 6270-34-4 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=CO1 |
| InChIKey | IIISLCMALFIFKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl 2-furoate (CAS 6270-34-4), with molecular formula C8H10O3 and molecular weight 154.06 g/mol. IUPAC: propan-2-yl furan-2-carboxylate.
Chemical Property Profile of Isopropyl 2-furoate
Property Insights of Isopropyl 2-furoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 2-furoate. With a topological polar surface area (TPSA) of 39.4 Ų, Isopropyl 2-furoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 2-furoate 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 Isopropyl 2-furoate?
The CAS number of Isopropyl 2-furoate is 6270-34-4.
What is the molecular formula of Isopropyl 2-furoate?
The molecular formula of Isopropyl 2-furoate is C8H10O3.
What is the molecular weight of Isopropyl 2-furoate?
The molecular weight of Isopropyl 2-furoate is 154.06 g/mol.
Where can I buy Isopropyl 2-furoate?
You can request a quote for Isopropyl 2-furoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 2-furoate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.