Methoxyacetic acid, 2-butyl ester
TL;DR: Methoxyacetic acid, 2-butyl ester (CAS 70159-90-9) is a chemical compound with molecular formula C7H14O3 and molecular weight 146.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 2-methoxyacetate
Also Known As: Sec-butyl methoxyacetate, Iso-Butyl methoxyacetate, Sec-butyl methoxyacetate #, butan-2-yl 2-methoxyacetate, Methoxyacetic acid, 2-butyl ester
| Molecular Formula | C7H14O3 |
|---|---|
| Molecular Weight | 146.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.0943 |
| Heavy Atoms | 10 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 70159-90-9 |
|---|---|
| SMILES | CCC(C)OC(=O)COC |
| InChIKey | AGWKXKRSGULCAE-UHFFFAOYSA-N |
Product Overview
Methoxyacetic acid, 2-butyl ester (CAS 70159-90-9), with molecular formula C7H14O3 and molecular weight 146.09 g/mol. IUPAC: butan-2-yl 2-methoxyacetate.
Chemical Property Profile of Methoxyacetic acid, 2-butyl ester
Property Insights of Methoxyacetic acid, 2-butyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methoxyacetic acid, 2-butyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Methoxyacetic acid, 2-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methoxyacetic acid, 2-butyl ester has 0 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 Methoxyacetic acid, 2-butyl ester?
The CAS number of Methoxyacetic acid, 2-butyl ester is 70159-90-9.
What is the molecular formula of Methoxyacetic acid, 2-butyl ester?
The molecular formula of Methoxyacetic acid, 2-butyl ester is C7H14O3.
What is the molecular weight of Methoxyacetic acid, 2-butyl ester?
The molecular weight of Methoxyacetic acid, 2-butyl ester is 146.09 g/mol.
Where can I buy Methoxyacetic acid, 2-butyl ester?
You can request a quote for Methoxyacetic acid, 2-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methoxyacetic acid, 2-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Methoxyacetic acid, 2-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.