Carbamic acid, methyl-, o-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl ester
TL;DR: Carbamic acid, methyl-, o-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl ester (CAS 7070-71-5) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl] N-methylcarbamate
Also Known As: o-(4,7-Dihydro-1,3-dioxepin-2-yl)phenyl methylcarbamate, Carbamic acid, methyl-, o-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl ester, [2-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl] N-methylcarbamate, 2-(4,7-Dihydro-2H-1,3-dioxepin-2-yl)phenyl methylcarbamate, RefChem:332575
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 7070-71-5 |
|---|---|
| SMILES | CNC(=O)OC1=CC=CC=C1C2OCC=CCO2 |
| InChIKey | MIWDHMIFYCWVSC-UHFFFAOYSA-N |
Product Overview
Carbamic acid, methyl-, o-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl ester (CAS 7070-71-5), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: [2-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl] N-methylcarbamate.
Chemical Property Profile of Carbamic acid, methyl-, o-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl ester
Property Insights of Carbamic acid, methyl-, o-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, methyl-, o-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl ester. With a topological polar surface area (TPSA) of 56.8 Ų, Carbamic acid, methyl-, o-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, methyl-, o-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl ester 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 Carbamic acid, methyl-, o-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl ester?
The CAS number of Carbamic acid, methyl-, o-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl ester is 7070-71-5.
What is the molecular formula of Carbamic acid, methyl-, o-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl ester?
The molecular formula of Carbamic acid, methyl-, o-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl ester is C13H15NO4.
What is the molecular weight of Carbamic acid, methyl-, o-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl ester?
The molecular weight of Carbamic acid, methyl-, o-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl ester is 249.10 g/mol.
Where can I buy Carbamic acid, methyl-, o-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl ester?
You can request a quote for Carbamic acid, methyl-, o-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, methyl-, o-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, methyl-, o-(4,7-dihydro-1,3-dioxepin-2-yl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.