1,3-苯并二噁茂-4-基甲基氨基甲酸酯
TL;DR: 1,3-苯并二噁茂-4-基甲基氨基甲酸酯 (CAS 22791-23-7) 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-苯并二噁茂-4-基甲基氨基甲酸酯
1,3-benzodioxol-4-yl N-methylcarbamate
Also Known As: 1,3-Benzodioxol-4-yl methylcarbamate, 1,3-BENZODIOXOL-4-OL, METHYLCARBAMATE, 1,3-benzodioxol-4-yl N-methylcarbamate, Phenol, 2,3-(methylenedioxy)-, methylcarbamate, 2H-1,3-Benzodioxol-4-yl methylcarbamate
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 1.1 |
| 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 | 22791-23-7 |
|---|---|
| SMILES | CNC(=O)OC1=CC=CC2=C1OCO2 |
| InChIKey | JUUUMPAIZNPCBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-苯并二噁茂-4-基甲基氨基甲酸酯 (CAS 22791-23-7), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 1,3-benzodioxol-4-yl N-methylcarbamate.
Chemical Property Profile of 1,3-苯并二噁茂-4-基甲基氨基甲酸酯
Property Insights of 1,3-苯并二噁茂-4-基甲基氨基甲酸酯
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-苯并二噁茂-4-基甲基氨基甲酸酯. With a topological polar surface area (TPSA) of 56.8 Ų, 1,3-苯并二噁茂-4-基甲基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-苯并二噁茂-4-醇甲基氨基甲酸酯 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-苯并二噁茂-4-醇甲基氨基甲酸酯?
The CAS number of 1,3-苯并二噁茂-4-醇甲基氨基甲酸酯 is 22791-23-7.
What is the molecular formula of 1,3-苯并二噁茂-4-醇甲基氨基甲酸酯?
The molecular formula of 1,3-苯并二噁茂-4-醇甲基氨基甲酸酯 is C9H9NO4.
What is the molecular weight of 1,3-苯并二噁茂-4-醇甲基氨基甲酸酯?
The molecular weight of 1,3-苯并二噁茂-4-醇甲基氨基甲酸酯 is 195.05 g/mol.
Where can I buy 1,3-苯并二噁茂-4-醇甲基氨基甲酸酯?
You can request a quote for 1,3-苯并二噁茂-4-醇甲基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-苯并二噁茂-4-醇甲基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1,3-苯并二噁茂-4-醇甲基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.