Methyl pentonate
TL;DR: Methyl pentonate (CAS 686298-78-2) is a chemical compound with molecular formula C6H12O6 and molecular weight 180.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,3,4,5-tetrahydroxypentanoate
Also Known As: methyl pentonate, Methyl arabinonate, Arabinonic acid, methyl ester, METHYL ARABONATE, methyl 2,3,4,5-tetrahydroxypentanoate
| Molecular Formula | C6H12O6 |
|---|---|
| Molecular Weight | 180.06 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 180.06339 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 686298-78-2 |
|---|---|
| SMILES | COC(=O)C(C(C(CO)O)O)O |
| InChIKey | JWILWRLEBBNTFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl pentonate (CAS 686298-78-2), with molecular formula C6H12O6 and molecular weight 180.06 g/mol. IUPAC: methyl 2,3,4,5-tetrahydroxypentanoate.
Chemical Property Profile of Methyl pentonate
Property Insights of Methyl pentonate
The XLogP value of -2.4 indicates that Methyl pentonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl pentonate. Following Lipinski's Rule of Five, Methyl pentonate has 4 hydrogen bond donor(s) and 6 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 Methyl pentonate?
The CAS number of Methyl pentonate is 686298-78-2.
What is the molecular formula of Methyl pentonate?
The molecular formula of Methyl pentonate is C6H12O6.
What is the molecular weight of Methyl pentonate?
The molecular weight of Methyl pentonate is 180.06 g/mol.
Where can I buy Methyl pentonate?
You can request a quote for Methyl pentonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl pentonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl pentonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.