1,3-Benzodioxol-5-ol, methylcarbamate
TL;DR: 1,3-Benzodioxol-5-ol, methylcarbamate (CAS 120-60-5) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-benzodioxol-5-yl N-methylcarbamate
Also Known As: 1,3-Benzodioxol-5-ol, methylcarbamate, 1,3-benzodioxol-5-yl methylcarbamate, 3,4-Methylenedioxyphenyl methylcarbamate, KST-1B6828, 1,3-benzodioxol-5-yl N-methylcarbamate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9NO4 |
| Molecular Weight | 195.05316 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.05316 Da |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
| SMILES | CNC(=O)OC1=CC2=C(C=C1)OCO2 |
| InChIKey | GLYGYVWDYBENHG-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Benzodioxol-5-ol, methylcarbamate
Property Insights of 1,3-Benzodioxol-5-ol, methylcarbamate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxol-5-ol, methylcarbamate. With a topological polar surface area (TPSA) of 56.8 Ų, 1,3-Benzodioxol-5-ol, methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-ol, 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
What is the CAS number of 1,3-Benzodioxol-5-ol, methylcarbamate?
The CAS number of 1,3-Benzodioxol-5-ol, methylcarbamate is 120-60-5.
What is the molecular formula of 1,3-Benzodioxol-5-ol, methylcarbamate?
The molecular formula of 1,3-Benzodioxol-5-ol, methylcarbamate is C9H9NO4.
What is the molecular weight of 1,3-Benzodioxol-5-ol, methylcarbamate?
The molecular weight of 1,3-Benzodioxol-5-ol, methylcarbamate is 195.05316 g/mol.
Where can I buy 1,3-Benzodioxol-5-ol, methylcarbamate?
You can request a quote for 1,3-Benzodioxol-5-ol, methylcarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Benzodioxol-5-ol, methylcarbamate?
Yes, CoreyChem provides custom synthesis services for 1,3-Benzodioxol-5-ol, methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.