Acetic acid, 2-butoxy-2-hydroxy-, butyl ester
TL;DR: Acetic acid, 2-butoxy-2-hydroxy-, butyl ester (CAS 68575-73-5) is a chemical compound with molecular formula C10H20O4 and molecular weight 204.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-butoxy-2-hydroxyacetate
Also Known As: Butyl butoxyhydroxyacetate, butyl 2-butoxy-2-hydroxyacetate, Acetic acid, butoxyhydroxy-, butyl ester, Butyl butoxy(hydroxy)acetate, Butyl butoxy(hydroxy)acetate #
| Molecular Formula | C10H20O4 |
|---|---|
| Molecular Weight | 204.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 204.13615 |
| Heavy Atoms | 14 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 68575-73-5 |
|---|---|
| SMILES | CCCCOC(C(=O)OCCCC)O |
| InChIKey | IVWCKBUPHQKJNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, 2-butoxy-2-hydroxy-, butyl ester (CAS 68575-73-5), with molecular formula C10H20O4 and molecular weight 204.14 g/mol. IUPAC: butyl 2-butoxy-2-hydroxyacetate.
Chemical Property Profile of Acetic acid, 2-butoxy-2-hydroxy-, butyl ester
Property Insights of Acetic acid, 2-butoxy-2-hydroxy-, butyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-butoxy-2-hydroxy-, butyl ester. With a topological polar surface area (TPSA) of 55.8 Ų, Acetic acid, 2-butoxy-2-hydroxy-, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-butoxy-2-hydroxy-, butyl ester has 1 hydrogen bond donor(s) and 4 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 Acetic acid, 2-butoxy-2-hydroxy-, butyl ester?
The CAS number of Acetic acid, 2-butoxy-2-hydroxy-, butyl ester is 68575-73-5.
What is the molecular formula of Acetic acid, 2-butoxy-2-hydroxy-, butyl ester?
The molecular formula of Acetic acid, 2-butoxy-2-hydroxy-, butyl ester is C10H20O4.
What is the molecular weight of Acetic acid, 2-butoxy-2-hydroxy-, butyl ester?
The molecular weight of Acetic acid, 2-butoxy-2-hydroxy-, butyl ester is 204.14 g/mol.
Where can I buy Acetic acid, 2-butoxy-2-hydroxy-, butyl ester?
You can request a quote for Acetic acid, 2-butoxy-2-hydroxy-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-butoxy-2-hydroxy-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-butoxy-2-hydroxy-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.