3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid
TL;DR: 3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid (CAS 953-21-9) is a chemical compound with molecular formula C14H20O5 and molecular weight 268.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-carboxyethyl)-4-methyl-5-pentylfuran-3-carboxylic acid
Also Known As: 3-Cmpfp, CMPentylF, Pentylfuranoic acid, 2-(2-carboxyethyl)-4-methyl-5-pentylfuran-3-carboxylic acid, 3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid
| Molecular Formula | C14H20O5 |
|---|---|
| Molecular Weight | 268.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 268.13107 |
| Heavy Atoms | 19 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 953-21-9 |
|---|---|
| SMILES | CCCCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C |
| InChIKey | RIJDKRLRDVBUHJ-UHFFFAOYSA-N |
Product Overview
3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid (CAS 953-21-9), with molecular formula C14H20O5 and molecular weight 268.13 g/mol. IUPAC: 2-(2-carboxyethyl)-4-methyl-5-pentylfuran-3-carboxylic acid.
Chemical Property Profile of 3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid
Property Insights of 3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid. Following Lipinski's Rule of Five, 3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid has 2 hydrogen bond donor(s) and 5 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-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid?
The CAS number of 3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid is 953-21-9.
What is the molecular formula of 3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid?
The molecular formula of 3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid is C14H20O5.
What is the molecular weight of 3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid?
The molecular weight of 3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid is 268.13 g/mol.
Where can I buy 3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid?
You can request a quote for 3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.