3-Furancarboxylic acid, 2-(methoxymethyl)-5-methyl-, methyl ester
TL;DR: 3-Furancarboxylic acid, 2-(methoxymethyl)-5-methyl-, methyl ester (CAS 35339-97-0) is a chemical compound with molecular formula C9H12O4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(methoxymethyl)-5-methylfuran-3-carboxylate
Also Known As: Methyl 2-(methoxymethyl)-5-methyl-3-furoate, Methyl 2-(methoxymethyl)-5-methyl-3-furoate #, methyl 2-(methoxymethyl)-5-methylfuran-3-carboxylate, 2-Methoxymethyl-5-methyl-3-furancarboxylicacidmethylester, methyl 2-methoxymethyl-5-methylfuran-3-carboxylate
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 48.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 35339-97-0 |
|---|---|
| SMILES | CC1=CC(=C(O1)COC)C(=O)OC |
| InChIKey | WAXUUVZCFWSLDZ-UHFFFAOYSA-N |
Product Overview
3-Furancarboxylic acid, 2-(methoxymethyl)-5-methyl-, methyl ester (CAS 35339-97-0), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: methyl 2-(methoxymethyl)-5-methylfuran-3-carboxylate.
Chemical Property Profile of 3-Furancarboxylic acid, 2-(methoxymethyl)-5-methyl-, methyl ester
Property Insights of 3-Furancarboxylic acid, 2-(methoxymethyl)-5-methyl-, methyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Furancarboxylic acid, 2-(methoxymethyl)-5-methyl-, methyl ester. With a topological polar surface area (TPSA) of 48.7 Ų, 3-Furancarboxylic acid, 2-(methoxymethyl)-5-methyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Furancarboxylic acid, 2-(methoxymethyl)-5-methyl-, methyl ester 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 3-Furancarboxylic acid, 2-(methoxymethyl)-5-methyl-, methyl ester?
The CAS number of 3-Furancarboxylic acid, 2-(methoxymethyl)-5-methyl-, methyl ester is 35339-97-0.
What is the molecular formula of 3-Furancarboxylic acid, 2-(methoxymethyl)-5-methyl-, methyl ester?
The molecular formula of 3-Furancarboxylic acid, 2-(methoxymethyl)-5-methyl-, methyl ester is C9H12O4.
What is the molecular weight of 3-Furancarboxylic acid, 2-(methoxymethyl)-5-methyl-, methyl ester?
The molecular weight of 3-Furancarboxylic acid, 2-(methoxymethyl)-5-methyl-, methyl ester is 184.07 g/mol.
Where can I buy 3-Furancarboxylic acid, 2-(methoxymethyl)-5-methyl-, methyl ester?
You can request a quote for 3-Furancarboxylic acid, 2-(methoxymethyl)-5-methyl-, 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, 2-(methoxymethyl)-5-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Furancarboxylic acid, 2-(methoxymethyl)-5-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.