Ethyl (1,3-benzodioxolan-5-yl)carbamate
TL;DR: Ethyl (1,3-benzodioxolan-5-yl)carbamate (CAS 165330-00-7) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl N-(1,3-benzodioxol-5-yl)carbamate
Also Known As: ethyl 1,3-benzodioxol-5-ylcarbamate, ethyl (1,3-benzodioxolan-5-yl)carbamate, Benzo[1,3]dioxol-5-yl-carbamic acid ethyl ester, ethyl N-(1,3-benzodioxol-5-yl)carbamate, BAS 00568047
Technical Specifications
| Molecular Formula | C10H11NO4 |
| Molecular Weight | 209.0688 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.0688 Da |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
| SMILES | CCOC(=O)NC1=CC2=C(C=C1)OCO2 |
| InChIKey | KQEDHQBKCPFYND-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl (1,3-benzodioxolan-5-yl)carbamate
Property Insights of Ethyl (1,3-benzodioxolan-5-yl)carbamate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (1,3-benzodioxolan-5-yl)carbamate. With a topological polar surface area (TPSA) of 56.8 Ų, Ethyl (1,3-benzodioxolan-5-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (1,3-benzodioxolan-5-yl)carbamate 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
What is the CAS number of Ethyl (1,3-benzodioxolan-5-yl)carbamate?
The CAS number of Ethyl (1,3-benzodioxolan-5-yl)carbamate is 165330-00-7.
What is the molecular formula of Ethyl (1,3-benzodioxolan-5-yl)carbamate?
The molecular formula of Ethyl (1,3-benzodioxolan-5-yl)carbamate is C10H11NO4.
What is the molecular weight of Ethyl (1,3-benzodioxolan-5-yl)carbamate?
The molecular weight of Ethyl (1,3-benzodioxolan-5-yl)carbamate is 209.0688 g/mol.
Where can I buy Ethyl (1,3-benzodioxolan-5-yl)carbamate?
You can request a quote for Ethyl (1,3-benzodioxolan-5-yl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl (1,3-benzodioxolan-5-yl)carbamate?
Yes, CoreyChem provides custom synthesis services for Ethyl (1,3-benzodioxolan-5-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.