Phenol, 2-(4-methyl-1,3-dioxolan-2-yl)-, 1-(N-methylcarbamate)
TL;DR: Phenol, 2-(4-methyl-1,3-dioxolan-2-yl)-, 1-(N-methylcarbamate) (CAS 6988-20-1) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methyl-1,3-dioxolan-2-yl)phenyl] N-methylcarbamate
Also Known As: AI3-27564, AI 3-27564, o-(4-Methyl-1,3-dioxolan-2-yl)phenyl methylcarbamate, [2-(4-methyl-1,3-dioxolan-2-yl)phenyl] N-methylcarbamate, Carbamic acid, methyl-, o-(4-methyl-1,3-dioxolan-2-yl)phenyl ester
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 6988-20-1 |
|---|---|
| SMILES | CC1COC(O1)C2=CC=CC=C2OC(=O)NC |
| InChIKey | XXIJPDVJRAQVSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 2-(4-methyl-1,3-dioxolan-2-yl)-, 1-(N-methylcarbamate) (CAS 6988-20-1), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: [2-(4-methyl-1,3-dioxolan-2-yl)phenyl] N-methylcarbamate.
Chemical Property Profile of Phenol, 2-(4-methyl-1,3-dioxolan-2-yl)-, 1-(N-methylcarbamate)
Property Insights of Phenol, 2-(4-methyl-1,3-dioxolan-2-yl)-, 1-(N-methylcarbamate)
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 2-(4-methyl-1,3-dioxolan-2-yl)-, 1-(N-methylcarbamate). With a topological polar surface area (TPSA) of 56.8 Ų, Phenol, 2-(4-methyl-1,3-dioxolan-2-yl)-, 1-(N-methylcarbamate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 2-(4-methyl-1,3-dioxolan-2-yl)-, 1-(N-methylcarbamate) has 1 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 Phenol, 2-(4-methyl-1,3-dioxolan-2-yl)-, 1-(N-methylcarbamate)?
The CAS number of Phenol, 2-(4-methyl-1,3-dioxolan-2-yl)-, 1-(N-methylcarbamate) is 6988-20-1.
What is the molecular formula of Phenol, 2-(4-methyl-1,3-dioxolan-2-yl)-, 1-(N-methylcarbamate)?
The molecular formula of Phenol, 2-(4-methyl-1,3-dioxolan-2-yl)-, 1-(N-methylcarbamate) is C12H15NO4.
What is the molecular weight of Phenol, 2-(4-methyl-1,3-dioxolan-2-yl)-, 1-(N-methylcarbamate)?
The molecular weight of Phenol, 2-(4-methyl-1,3-dioxolan-2-yl)-, 1-(N-methylcarbamate) is 237.10 g/mol.
Where can I buy Phenol, 2-(4-methyl-1,3-dioxolan-2-yl)-, 1-(N-methylcarbamate)?
You can request a quote for Phenol, 2-(4-methyl-1,3-dioxolan-2-yl)-, 1-(N-methylcarbamate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2-(4-methyl-1,3-dioxolan-2-yl)-, 1-(N-methylcarbamate)?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2-(4-methyl-1,3-dioxolan-2-yl)-, 1-(N-methylcarbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.