3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester
TL;DR: 3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester (CAS 20416-08-4) 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.
methyl 5-benzylfuran-3-carboxylate
Also Known As: Methyl 5-benzyl-3-furoate, methyl 5-benzylfuran-3-carboxylate, methyl5-benzyl-3-furoate, 3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester, 5-Benzyl-3-furancarbonsaeure-methylester
| 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 | 20416-08-4 |
|---|---|
| SMILES | COC(=O)C1=COC(=C1)CC2=CC=CC=C2 |
| InChIKey | DGEHQARARXBTFY-UHFFFAOYSA-N |
Product Overview
3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester (CAS 20416-08-4), with molecular formula C13H12O3 and molecular weight 216.08 g/mol. IUPAC: methyl 5-benzylfuran-3-carboxylate.
Chemical Property Profile of 3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester
Property Insights of 3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester. With a topological polar surface area (TPSA) of 39.4 Ų, 3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester 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 3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester?
The CAS number of 3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester is 20416-08-4.
What is the molecular formula of 3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester?
The molecular formula of 3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester is C13H12O3.
What is the molecular weight of 3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester?
The molecular weight of 3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester is 216.08 g/mol.
Where can I buy 3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester?
You can request a quote for 3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.