Sitophilate
TL;DR: Sitophilate (CAS 114607-20-4) is a chemical compound with molecular formula C11H22O3 and molecular weight 202.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentan-3-yl (2S,3R)-3-hydroxy-2-methylpentanoate
Also Known As: Sitophilate, pentan-3-yl (2S,3R)-3-hydroxy-2-methylpentanoate, (R-(R*,S*))-1-Ethylpropyl 3-hydroxy-2-methylpentanoate, 1-ethylpropyl-(2s,3r)-3-hydroxy-2-methylpentanoate, (2S,3R)-2-Methyl-3-hydroxypentanoic acid 1-ethylpropyl ester
| Molecular Formula | C11H22O3 |
|---|---|
| Molecular Weight | 202.16 g/mol |
| LogP | 2.1252 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 202.15689 |
| Heavy Atoms | 14 |
| Complexity | 163.91557 |
Chemical Identifiers
| CAS Number | 114607-20-4 |
|---|---|
| SMILES | CC[C@H]([C@H](C)C(=O)OC(CC)CC)O |
Product Overview
Sitophilate (CAS 114607-20-4), with molecular formula C11H22O3 and molecular weight 202.16 g/mol. IUPAC: pentan-3-yl (2S,3R)-3-hydroxy-2-methylpentanoate.
Chemical Property Profile of Sitophilate
Property Insights of Sitophilate
The XLogP value of 2.1252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sitophilate. With a topological polar surface area (TPSA) of 46.53 Ų, Sitophilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sitophilate has 1 hydrogen bond donor(s) and 3 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 Sitophilate?
The CAS number of Sitophilate is 114607-20-4.
What is the molecular formula of Sitophilate?
The molecular formula of Sitophilate is C11H22O3.
What is the molecular weight of Sitophilate?
The molecular weight of Sitophilate is 202.16 g/mol.
Where can I buy Sitophilate?
You can request a quote for Sitophilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sitophilate?
Yes, KEHONG BIO provides custom synthesis services for Sitophilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.