Methyl 2-(2-methyl-4-phenyl-1,3-dioxolan-2-yl)acetate
TL;DR: Methyl 2-(2-methyl-4-phenyl-1,3-dioxolan-2-yl)acetate (CAS 58345-30-5) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-methyl-4-phenyl-1,3-dioxolan-2-yl)acetate
Also Known As: Methyl 2-(2-methyl-4-phenyl-1,3-dioxolan-2-yl)acetate
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.0538 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 389.66574 |
Chemical Identifiers
| CAS Number | 58345-30-5 |
|---|---|
| SMILES | CC1(OCC(O1)C2=CC=CC=C2)CC(=O)OC |
Product Overview
Methyl 2-(2-methyl-4-phenyl-1,3-dioxolan-2-yl)acetate (CAS 58345-30-5), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: methyl 2-(2-methyl-4-phenyl-1,3-dioxolan-2-yl)acetate.
Chemical Property Profile of Methyl 2-(2-methyl-4-phenyl-1,3-dioxolan-2-yl)acetate
Property Insights of Methyl 2-(2-methyl-4-phenyl-1,3-dioxolan-2-yl)acetate
The XLogP value of 2.0538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2-methyl-4-phenyl-1,3-dioxolan-2-yl)acetate. With a topological polar surface area (TPSA) of 44.76 Ų, Methyl 2-(2-methyl-4-phenyl-1,3-dioxolan-2-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(2-methyl-4-phenyl-1,3-dioxolan-2-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-methyl-4-phenyl-1,3-dioxolan-2-yl)acetate?
The CAS number of Methyl 2-(2-methyl-4-phenyl-1,3-dioxolan-2-yl)acetate is 58345-30-5.
What is the molecular formula of Methyl 2-(2-methyl-4-phenyl-1,3-dioxolan-2-yl)acetate?
The molecular formula of Methyl 2-(2-methyl-4-phenyl-1,3-dioxolan-2-yl)acetate is C13H16O4.
What is the molecular weight of Methyl 2-(2-methyl-4-phenyl-1,3-dioxolan-2-yl)acetate?
The molecular weight of Methyl 2-(2-methyl-4-phenyl-1,3-dioxolan-2-yl)acetate is 236.10 g/mol.
Where can I buy Methyl 2-(2-methyl-4-phenyl-1,3-dioxolan-2-yl)acetate?
You can request a quote for Methyl 2-(2-methyl-4-phenyl-1,3-dioxolan-2-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-methyl-4-phenyl-1,3-dioxolan-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2-methyl-4-phenyl-1,3-dioxolan-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.