(4-Hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid
TL;DR: (4-Hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid (CAS 39212-21-0) is a chemical compound with molecular formula C12H16O5 and molecular weight 240.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-hexyl-2,5-dioxofuran-3-yl)acetic acid
Also Known As: 2-(4-hexyl-2,5-dioxofuran-3-yl)acetic acid, 2-carboxymethyl-3-hexylmaleic acid anhydride, (4-Hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid, 4-Hexyl-2,5-dioxofuran-3-acetic acid, 2-Carboxymethyl-3-n-hexylmaleic acid anhydride
| Molecular Formula | C12H16O5 |
|---|---|
| Molecular Weight | 240.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 240.09978 |
| Heavy Atoms | 17 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 39212-21-0 |
|---|---|
| SMILES | CCCCCCC1=C(C(=O)OC1=O)CC(=O)O |
| InChIKey | UMHSTRUKUXAWBA-UHFFFAOYSA-N |
Product Overview
(4-Hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid (CAS 39212-21-0), with molecular formula C12H16O5 and molecular weight 240.10 g/mol. IUPAC: 2-(4-hexyl-2,5-dioxofuran-3-yl)acetic acid.
Chemical Property Profile of (4-Hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid
Property Insights of (4-Hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid. Following Lipinski's Rule of Five, (4-Hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid has 1 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 (4-Hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid?
The CAS number of (4-Hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid is 39212-21-0.
What is the molecular formula of (4-Hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid?
The molecular formula of (4-Hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid is C12H16O5.
What is the molecular weight of (4-Hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid?
The molecular weight of (4-Hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid is 240.10 g/mol.
Where can I buy (4-Hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid?
You can request a quote for (4-Hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.