2-(4,5-Dimethyl-1,3-dioxolan-2-yl)phenyl methylcarbamate
TL;DR: 2-(4,5-Dimethyl-1,3-dioxolan-2-yl)phenyl methylcarbamate (CAS 7122-04-5) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4,5-dimethyl-1,3-dioxolan-2-yl)phenyl] N-methylcarbamate
Also Known As: Fondaren, Sapecron C, Saprecon C, Ciba-Geigy C-10015, Ciba 10015
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 7122-04-5 |
|---|---|
| SMILES | CC1C(OC(O1)C2=CC=CC=C2OC(=O)NC)C |
| InChIKey | KHOCVCJZJLCLGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4,5-Dimethyl-1,3-dioxolan-2-yl)phenyl methylcarbamate (CAS 7122-04-5), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: [2-(4,5-dimethyl-1,3-dioxolan-2-yl)phenyl] N-methylcarbamate.
Chemical Property Profile of 2-(4,5-Dimethyl-1,3-dioxolan-2-yl)phenyl methylcarbamate
Property Insights of 2-(4,5-Dimethyl-1,3-dioxolan-2-yl)phenyl methylcarbamate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4,5-Dimethyl-1,3-dioxolan-2-yl)phenyl methylcarbamate. With a topological polar surface area (TPSA) of 56.8 Ų, 2-(4,5-Dimethyl-1,3-dioxolan-2-yl)phenyl methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4,5-Dimethyl-1,3-dioxolan-2-yl)phenyl 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 2-(4,5-Dimethyl-1,3-dioxolan-2-yl)phenyl methylcarbamate?
The CAS number of 2-(4,5-Dimethyl-1,3-dioxolan-2-yl)phenyl methylcarbamate is 7122-04-5.
What is the molecular formula of 2-(4,5-Dimethyl-1,3-dioxolan-2-yl)phenyl methylcarbamate?
The molecular formula of 2-(4,5-Dimethyl-1,3-dioxolan-2-yl)phenyl methylcarbamate is C13H17NO4.
What is the molecular weight of 2-(4,5-Dimethyl-1,3-dioxolan-2-yl)phenyl methylcarbamate?
The molecular weight of 2-(4,5-Dimethyl-1,3-dioxolan-2-yl)phenyl methylcarbamate is 251.12 g/mol.
Where can I buy 2-(4,5-Dimethyl-1,3-dioxolan-2-yl)phenyl methylcarbamate?
You can request a quote for 2-(4,5-Dimethyl-1,3-dioxolan-2-yl)phenyl methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4,5-Dimethyl-1,3-dioxolan-2-yl)phenyl methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,5-Dimethyl-1,3-dioxolan-2-yl)phenyl methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.