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 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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, 1,3-benzodioxol-5-yl N-methylcarbamate, 2H-1,3-Benzodioxol-5-yl methylcarbamate
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 120-60-5 |
|---|---|
| SMILES | CNC(=O)OC1=CC2=C(C=C1)OCO2 |
| InChIKey | GLYGYVWDYBENHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzodioxol-5-ol, methylcarbamate (CAS 120-60-5), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 1,3-benzodioxol-5-yl N-methylcarbamate.
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
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 195.05 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxol-5-ol, methylcarbamate?
Yes, KEHONG BIO 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.