Isopropyl 3-(5-formyl-2-furyl)benzoate
TL;DR: Isopropyl 3-(5-formyl-2-furyl)benzoate (CAS 431926-52-2) is a chemical compound with molecular formula C15H14O4 and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-(5-formylfuran-2-yl)benzoate
Also Known As: isopropyl 3-(5-formyl-2-furyl)benzoate, propan-2-yl 3-(5-formylfuran-2-yl)benzoate, ZERO/004907, methylethyl 3-(5-formyl-2-furyl)benzoate, AN-023/40928099
| Molecular Formula | C15H14O4 |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 3.3243 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.0892 |
| Heavy Atoms | 19 |
| Complexity | 595.698 |
Chemical Identifiers
| CAS Number | 431926-52-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=O |
Product Overview
Isopropyl 3-(5-formyl-2-furyl)benzoate (CAS 431926-52-2), with molecular formula C15H14O4 and molecular weight 258.09 g/mol. IUPAC: propan-2-yl 3-(5-formylfuran-2-yl)benzoate.
Chemical Property Profile of Isopropyl 3-(5-formyl-2-furyl)benzoate
Property Insights of Isopropyl 3-(5-formyl-2-furyl)benzoate
The XLogP value of 3.3243 indicates that Isopropyl 3-(5-formyl-2-furyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, Isopropyl 3-(5-formyl-2-furyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 3-(5-formyl-2-furyl)benzoate has 0 hydrogen bond donor(s) and 4 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 3-(5-formyl-2-furyl)benzoate?
The CAS number of Isopropyl 3-(5-formyl-2-furyl)benzoate is 431926-52-2.
What is the molecular formula of Isopropyl 3-(5-formyl-2-furyl)benzoate?
The molecular formula of Isopropyl 3-(5-formyl-2-furyl)benzoate is C15H14O4.
What is the molecular weight of Isopropyl 3-(5-formyl-2-furyl)benzoate?
The molecular weight of Isopropyl 3-(5-formyl-2-furyl)benzoate is 258.09 g/mol.
Where can I buy Isopropyl 3-(5-formyl-2-furyl)benzoate?
You can request a quote for Isopropyl 3-(5-formyl-2-furyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 3-(5-formyl-2-furyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 3-(5-formyl-2-furyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.