Tetrahydro-2-furanylmethyl 3-methylbenzoate
TL;DR: Tetrahydro-2-furanylmethyl 3-methylbenzoate (CAS 51471-51-3) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxolan-2-ylmethyl 3-methylbenzoate
Also Known As: Tetrahydro-2-furanylmethyl 3-methylbenzoate, oxolan-2-ylmethyl 3-methylbenzoate, (Oxolan-2-yl)methyl 3-methylbenzoate, m-Toluic acid, 2-tetrahydrofurylmethyl ester, Tetrahydro-2-furanylmethyl 3-methylbenzoate #
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 51471-51-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OCC2CCCO2 |
| InChIKey | BOVDTHGPHGMHAT-UHFFFAOYSA-N |
Product Overview
Tetrahydro-2-furanylmethyl 3-methylbenzoate (CAS 51471-51-3), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: oxolan-2-ylmethyl 3-methylbenzoate.
Chemical Property Profile of Tetrahydro-2-furanylmethyl 3-methylbenzoate
Property Insights of Tetrahydro-2-furanylmethyl 3-methylbenzoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrahydro-2-furanylmethyl 3-methylbenzoate. With a topological polar surface area (TPSA) of 35.5 Ų, Tetrahydro-2-furanylmethyl 3-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetrahydro-2-furanylmethyl 3-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 Tetrahydro-2-furanylmethyl 3-methylbenzoate?
The CAS number of Tetrahydro-2-furanylmethyl 3-methylbenzoate is 51471-51-3.
What is the molecular formula of Tetrahydro-2-furanylmethyl 3-methylbenzoate?
The molecular formula of Tetrahydro-2-furanylmethyl 3-methylbenzoate is C13H16O3.
What is the molecular weight of Tetrahydro-2-furanylmethyl 3-methylbenzoate?
The molecular weight of Tetrahydro-2-furanylmethyl 3-methylbenzoate is 220.11 g/mol.
Where can I buy Tetrahydro-2-furanylmethyl 3-methylbenzoate?
You can request a quote for Tetrahydro-2-furanylmethyl 3-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydro-2-furanylmethyl 3-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydro-2-furanylmethyl 3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.