Methyl 4-(1,3-dioxolan-2-yl)benzoate
TL;DR: Methyl 4-(1,3-dioxolan-2-yl)benzoate (CAS 142651-24-9) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(1,3-dioxolan-2-yl)benzoate
Also Known As: methyl 4-(1,3-dioxolan-2-yl)benzoate, Methyl 4-(1,3-dioxolanyl)benzoate, 4-(1,3-Dioxolan-2-yl)benzoic acid methyl ester, AH-034/32858035, Benzoic acid, 4-(1,3-dioxolan-2-yl)-, methyl ester
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12O4 |
| Molecular Weight | 208.07356 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.07356 Da |
| Heavy Atoms | 15 |
| Complexity | 215.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)C2OCCO2 |
| InChIKey | BNHGKLCJHMOJSX-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-(1,3-dioxolan-2-yl)benzoate
Property Insights of Methyl 4-(1,3-dioxolan-2-yl)benzoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(1,3-dioxolan-2-yl)benzoate. With a topological polar surface area (TPSA) of 44.8 Ų, Methyl 4-(1,3-dioxolan-2-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(1,3-dioxolan-2-yl)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
What is the CAS number of Methyl 4-(1,3-dioxolan-2-yl)benzoate?
The CAS number of Methyl 4-(1,3-dioxolan-2-yl)benzoate is 142651-24-9.
What is the molecular formula of Methyl 4-(1,3-dioxolan-2-yl)benzoate?
The molecular formula of Methyl 4-(1,3-dioxolan-2-yl)benzoate is C11H12O4.
What is the molecular weight of Methyl 4-(1,3-dioxolan-2-yl)benzoate?
The molecular weight of Methyl 4-(1,3-dioxolan-2-yl)benzoate is 208.07356 g/mol.
Where can I buy Methyl 4-(1,3-dioxolan-2-yl)benzoate?
You can request a quote for Methyl 4-(1,3-dioxolan-2-yl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-(1,3-dioxolan-2-yl)benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-(1,3-dioxolan-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.