2-(Phenylmethyl)-1,3-dioxolane-4-methanol
TL;DR: 2-(Phenylmethyl)-1,3-dioxolane-4-methanol (CAS 5694-72-4) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-benzyl-1,3-dioxolan-4-yl)methanol
Also Known As: Phenylacetaldehyde glyceryl acetal, (2-benzyl-1,3-dioxolan-4-yl)methanol, 1,2-hyacinth acetal, HYACINTH ACETALS, FEMA 2877
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 166.0 |
| Density | 1.158-1.168 |
| Solubility | Insoluble in water; soluble in oils |
| Refractive Index | 1.524-1.536 |
Chemical Identifiers
| CAS Number | 5694-72-4 |
|---|---|
| SMILES | C1C(OC(O1)CC2=CC=CC=C2)CO |
| InChIKey | ZPENOSKWEKGDCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Phenylmethyl)-1,3-dioxolane-4-methanol (CAS 5694-72-4), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: (2-benzyl-1,3-dioxolan-4-yl)methanol.
Chemical Property Profile of 2-(Phenylmethyl)-1,3-dioxolane-4-methanol
Property Insights of 2-(Phenylmethyl)-1,3-dioxolane-4-methanol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Phenylmethyl)-1,3-dioxolane-4-methanol. With a topological polar surface area (TPSA) of 38.7 Ų, 2-(Phenylmethyl)-1,3-dioxolane-4-methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Phenylmethyl)-1,3-dioxolane-4-methanol has 1 hydrogen bond donor(s) and 3 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-(Phenylmethyl)-1,3-dioxolane-4-methanol?
The CAS number of 2-(Phenylmethyl)-1,3-dioxolane-4-methanol is 5694-72-4.
What is the molecular formula of 2-(Phenylmethyl)-1,3-dioxolane-4-methanol?
The molecular formula of 2-(Phenylmethyl)-1,3-dioxolane-4-methanol is C11H14O3.
What is the molecular weight of 2-(Phenylmethyl)-1,3-dioxolane-4-methanol?
The molecular weight of 2-(Phenylmethyl)-1,3-dioxolane-4-methanol is 194.09 g/mol.
Where can I buy 2-(Phenylmethyl)-1,3-dioxolane-4-methanol?
You can request a quote for 2-(Phenylmethyl)-1,3-dioxolane-4-methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Phenylmethyl)-1,3-dioxolane-4-methanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylmethyl)-1,3-dioxolane-4-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.