2-Furylmethyl 4-methylbenzoate
TL;DR: 2-Furylmethyl 4-methylbenzoate (CAS 4330-24-9) is a chemical compound with molecular formula C13H12O3 and molecular weight 216.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
furan-2-ylmethyl 4-methylbenzoate
Also Known As: 2-furylmethyl 4-methylbenzoate, furan-2-ylmethyl 4-methylbenzoate, (Furan-2-yl)methyl 4-methylbenzoate, Benzoic acid, 4-methyl-, 2-furanylmethyl ester, AH-034/04886063
| Molecular Formula | C13H12O3 |
|---|---|
| Molecular Weight | 216.08 g/mol |
| LogP | 2.94502 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.07864 |
| Heavy Atoms | 16 |
| Complexity | 454.43274 |
Chemical Identifiers
| CAS Number | 4330-24-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OCC2=CC=CO2 |
Product Overview
2-Furylmethyl 4-methylbenzoate (CAS 4330-24-9), with molecular formula C13H12O3 and molecular weight 216.08 g/mol. IUPAC: furan-2-ylmethyl 4-methylbenzoate.
Chemical Property Profile of 2-Furylmethyl 4-methylbenzoate
Property Insights of 2-Furylmethyl 4-methylbenzoate
The XLogP value of 2.94502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Furylmethyl 4-methylbenzoate. With a topological polar surface area (TPSA) of 39.44 Ų, 2-Furylmethyl 4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Furylmethyl 4-methylbenzoate 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 2-Furylmethyl 4-methylbenzoate?
The CAS number of 2-Furylmethyl 4-methylbenzoate is 4330-24-9.
What is the molecular formula of 2-Furylmethyl 4-methylbenzoate?
The molecular formula of 2-Furylmethyl 4-methylbenzoate is C13H12O3.
What is the molecular weight of 2-Furylmethyl 4-methylbenzoate?
The molecular weight of 2-Furylmethyl 4-methylbenzoate is 216.08 g/mol.
Where can I buy 2-Furylmethyl 4-methylbenzoate?
You can request a quote for 2-Furylmethyl 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Furylmethyl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Furylmethyl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.