1,3-Benzodioxol-4-ol, 2,2,7-trimethyl-, methylcarbamate
TL;DR: 1,3-Benzodioxol-4-ol, 2,2,7-trimethyl-, methylcarbamate (CAS 22791-20-4) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,7-trimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate
Also Known As: 2,2,7-Trimethyl-1,3-benzodioxol-4-ol methylcarbamate, 1,3-BENZODIOXOL-4-OL, 2,2,7-TRIMETHYL-, METHYLCARBAMATE, (2,2,7-trimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate, (2,2,7-Trimethyl-1,3-benzodioxol-4-yl)n-methylcarbamate, 2,2,7-Trimethyl-2H-1,3-benzodioxol-4-yl methylcarbamate
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 22791-20-4 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1)OC(=O)NC)OC(O2)(C)C |
| InChIKey | QRVOHSBDBLBNPZ-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxol-4-ol, 2,2,7-trimethyl-, methylcarbamate (CAS 22791-20-4), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: (2,2,7-trimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate.
Chemical Property Profile of 1,3-Benzodioxol-4-ol, 2,2,7-trimethyl-, methylcarbamate
Property Insights of 1,3-Benzodioxol-4-ol, 2,2,7-trimethyl-, methylcarbamate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxol-4-ol, 2,2,7-trimethyl-, methylcarbamate. With a topological polar surface area (TPSA) of 56.8 Ų, 1,3-Benzodioxol-4-ol, 2,2,7-trimethyl-, methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxol-4-ol, 2,2,7-trimethyl-, 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-4-ol, 2,2,7-trimethyl-, methylcarbamate?
The CAS number of 1,3-Benzodioxol-4-ol, 2,2,7-trimethyl-, methylcarbamate is 22791-20-4.
What is the molecular formula of 1,3-Benzodioxol-4-ol, 2,2,7-trimethyl-, methylcarbamate?
The molecular formula of 1,3-Benzodioxol-4-ol, 2,2,7-trimethyl-, methylcarbamate is C12H15NO4.
What is the molecular weight of 1,3-Benzodioxol-4-ol, 2,2,7-trimethyl-, methylcarbamate?
The molecular weight of 1,3-Benzodioxol-4-ol, 2,2,7-trimethyl-, methylcarbamate is 237.10 g/mol.
Where can I buy 1,3-Benzodioxol-4-ol, 2,2,7-trimethyl-, methylcarbamate?
You can request a quote for 1,3-Benzodioxol-4-ol, 2,2,7-trimethyl-, 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-4-ol, 2,2,7-trimethyl-, methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-4-ol, 2,2,7-trimethyl-, methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.