1,3-Dioxolane, 2-benzyl-2-methyl-
TL;DR: 1,3-Dioxolane, 2-benzyl-2-methyl- (CAS 5432-17-7) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-2-methyl-1,3-dioxolane
Also Known As: 2-Benzyl-2-methyl-1,3-dioxolane, 1,3-Dioxolane, 2-benzyl-2-methyl-, 1, 2-benzyl-2-methyl-, 1-Phenyl-2-propanone ethylene acetal, 1, 2-methyl-2-(phenylmethyl)-
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 5432-17-7 |
|---|---|
| SMILES | CC1(OCCO1)CC2=CC=CC=C2 |
| InChIKey | DJQYVIFTPKYDDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dioxolane, 2-benzyl-2-methyl- (CAS 5432-17-7), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 2-benzyl-2-methyl-1,3-dioxolane.
Chemical Property Profile of 1,3-Dioxolane, 2-benzyl-2-methyl-
Property Insights of 1,3-Dioxolane, 2-benzyl-2-methyl-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxolane, 2-benzyl-2-methyl-. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Dioxolane, 2-benzyl-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxolane, 2-benzyl-2-methyl- has 0 hydrogen bond donor(s) and 2 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 1,3-Dioxolane, 2-benzyl-2-methyl-?
The CAS number of 1,3-Dioxolane, 2-benzyl-2-methyl- is 5432-17-7.
What is the molecular formula of 1,3-Dioxolane, 2-benzyl-2-methyl-?
The molecular formula of 1,3-Dioxolane, 2-benzyl-2-methyl- is C11H14O2.
What is the molecular weight of 1,3-Dioxolane, 2-benzyl-2-methyl-?
The molecular weight of 1,3-Dioxolane, 2-benzyl-2-methyl- is 178.10 g/mol.
Where can I buy 1,3-Dioxolane, 2-benzyl-2-methyl-?
You can request a quote for 1,3-Dioxolane, 2-benzyl-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxolane, 2-benzyl-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxolane, 2-benzyl-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.