5-Methyl-2-furylmethyl benzoate
TL;DR: 5-Methyl-2-furylmethyl benzoate (CAS 18908-20-8) 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.
(5-methylfuran-2-yl)methyl benzoate
Also Known As: 5-Methyl-2-furylmethyl benzoate, (5-methylfuran-2-yl)methyl benzoate, (5-methyl-2-furyl)methyl benzoate, 5-METHYL-2-FURYLMETHYLBENZOATE), 2-Furanmethanol,5-methyl-, 2-benzoate
| Molecular Formula | C13H12O3 |
|---|---|
| Molecular Weight | 216.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.07864 |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 18908-20-8 |
|---|---|
| SMILES | CC1=CC=C(O1)COC(=O)C2=CC=CC=C2 |
| InChIKey | CZGJADJWVDCSFQ-UHFFFAOYSA-N |
Product Overview
5-Methyl-2-furylmethyl benzoate (CAS 18908-20-8), with molecular formula C13H12O3 and molecular weight 216.08 g/mol. IUPAC: (5-methylfuran-2-yl)methyl benzoate.
Chemical Property Profile of 5-Methyl-2-furylmethyl benzoate
Property Insights of 5-Methyl-2-furylmethyl benzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-furylmethyl benzoate. With a topological polar surface area (TPSA) of 39.4 Ų, 5-Methyl-2-furylmethyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-furylmethyl benzoate 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 5-Methyl-2-furylmethyl benzoate?
The CAS number of 5-Methyl-2-furylmethyl benzoate is 18908-20-8.
What is the molecular formula of 5-Methyl-2-furylmethyl benzoate?
The molecular formula of 5-Methyl-2-furylmethyl benzoate is C13H12O3.
What is the molecular weight of 5-Methyl-2-furylmethyl benzoate?
The molecular weight of 5-Methyl-2-furylmethyl benzoate is 216.08 g/mol.
Where can I buy 5-Methyl-2-furylmethyl benzoate?
You can request a quote for 5-Methyl-2-furylmethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-furylmethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-furylmethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.