3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid
TL;DR: 3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid (CAS 73248-91-6) is a chemical compound with molecular formula C22H26O11 and molecular weight 466.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aS,7aR)-1-[(2S,3R,4R,6R)-3,4,5,5,6-pentahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate
Also Known As: 3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid, [(4aS,7aR)-1-[(2S,3R,4R,6R)-3,4,5,5,6-pentahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate, beta-D-Glucopyranoside, (1S,4aS,5R,7aR)-7-((benzoyloxy)methyl)-1,4a,5,7a-tetrahydro-4a,5-dihydroxycyclopenta(c)pyran-1-yl
| Molecular Formula | C22H26O11 |
|---|---|
| Molecular Weight | 466.15 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 466.14752 |
| Heavy Atoms | 33 |
| Complexity | 774.0 |
Chemical Identifiers
| CAS Number | 73248-91-6 |
|---|---|
| SMILES | C1C=C([C@H]2[C@@H]1C=COC2O[C@@H]3[C@@H]([C@H](C([C@](O3)(CO)O)(O)O)O)O)COC(=O)C4=CC=CC=C4 |
| InChIKey | BDCUIWGZYJDTJI-DCEFTQDJSA-N |
Product Overview
3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid (CAS 73248-91-6), with molecular formula C22H26O11 and molecular weight 466.15 g/mol. IUPAC: [(4aS,7aR)-1-[(2S,3R,4R,6R)-3,4,5,5,6-pentahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate.
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 -1.2 indicates that 3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.0 Ų indicates high polarity, suggesting 3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
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 73248-91-6.
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 C22H26O11.
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 466.15 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.