(3-Hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl) benzoate
TL;DR: (3-Hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl) benzoate (CAS 126518-75-0) is a chemical compound with molecular formula C15H20O5 and molecular weight 280.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl) benzoate
Also Known As: Asarumin A, (3-hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl) benzoate, [(2S,3S)-3-hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl] benzoate
| Molecular Formula | C15H20O5 |
|---|---|
| Molecular Weight | 280.13 g/mol |
| LogP | 1.792 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.13107 |
| Heavy Atoms | 20 |
| Complexity | 468.41205 |
Chemical Identifiers
| CAS Number | 126518-75-0 |
|---|---|
| SMILES | CC(C)C(C(C)OC(=O)C1=CC=CC=C1)(C(=O)OC)O |
Product Overview
(3-Hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl) benzoate (CAS 126518-75-0), with molecular formula C15H20O5 and molecular weight 280.13 g/mol. IUPAC: (3-hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl) benzoate.
Chemical Property Profile of (3-Hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl) benzoate
Property Insights of (3-Hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl) benzoate
The XLogP value of 1.792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl) benzoate. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl) benzoate. Following Lipinski's Rule of Five, (3-Hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl) benzoate 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 (3-Hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl) benzoate?
The CAS number of (3-Hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl) benzoate is 126518-75-0.
What is the molecular formula of (3-Hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl) benzoate?
The molecular formula of (3-Hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl) benzoate is C15H20O5.
What is the molecular weight of (3-Hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl) benzoate?
The molecular weight of (3-Hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl) benzoate is 280.13 g/mol.
Where can I buy (3-Hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl) benzoate?
You can request a quote for (3-Hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Hydroxy-3-methoxycarbonyl-4-methylpentan-2-yl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.