Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate
TL;DR: Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate (CAS 97221-06-2) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetate
Also Known As: 2-sec-Butylaniline, Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate, methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetate, Methyl (4S)-(+)-2,2-dimethyl-1,3-dioxolane-4-acetate, Methyl (S)-2-(2,2-Dimethyl-1,3-dioxolan-4-yl)acetate
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 97221-06-2 |
|---|---|
| SMILES | CC1(OCC(O1)CC(=O)OC)C |
| InChIKey | AEMMCWMMNLSHFT-UHFFFAOYSA-N |
Product Overview
Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate (CAS 97221-06-2), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetate.
Chemical Property Profile of Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate
Property Insights of Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate. With a topological polar surface area (TPSA) of 44.8 Ų, Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate has 0 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 Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate?
The CAS number of Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate is 97221-06-2.
What is the molecular formula of Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate?
The molecular formula of Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate is C8H14O4.
What is the molecular weight of Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate?
The molecular weight of Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate is 174.09 g/mol.
Where can I buy Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate?
You can request a quote for Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.