(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl benzoate
TL;DR: (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl benzoate (CAS 111467-66-4) 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.
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl benzoate
Also Known As: (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl benzoate, 4-benzoyloxymethyl-2,2-dimethyl-1,3-dioxolane, 2,2-Dimethyl-4-(benzoyloxy)methyl-1,3-dioxolane, (S)-4-benzoyloxymethyl-2,2-dimethyl-1,3-dioxolane, (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl benzoate #
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 111467-66-4 |
|---|---|
| SMILES | CC1(OCC(O1)COC(=O)C2=CC=CC=C2)C |
| InChIKey | YOMCVAULZUXXDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl benzoate (CAS 111467-66-4), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl benzoate.
Chemical Property Profile of (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl benzoate
Property Insights of (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl benzoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl benzoate. With a topological polar surface area (TPSA) of 44.8 Ų, (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl benzoate 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 (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl benzoate?
The CAS number of (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl benzoate is 111467-66-4.
What is the molecular formula of (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl benzoate?
The molecular formula of (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl benzoate is C13H16O4.
What is the molecular weight of (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl benzoate?
The molecular weight of (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl benzoate is 236.10 g/mol.
Where can I buy (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl benzoate?
You can request a quote for (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.