Carbamic acid, 2-propynyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester
TL;DR: Carbamic acid, 2-propynyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester (CAS 22791-25-9) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-1,3-benzodioxol-4-yl) N-prop-2-ynylcarbamate
Also Known As: 2-Propynylcarbamic acid 2,2-dimethyl-1,3-benzodioxol-4-yl ester, CARBAMIC ACID, 2-PROPYNYL-, 2,2-DIMETHYL-1,3-BENZODIOXOL-4-YL ESTER, (2,2-dimethyl-1,3-benzodioxol-4-yl) N-prop-2-ynylcarbamate, (2,2-Dimethyl-1,3-benzodioxol-4-yl)n-prop-2-ynylcarbamate, 2,2-Dimethyl-2H-1,3-benzodioxol-4-yl prop-2-yn-1-ylcarbamate
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 22791-25-9 |
|---|---|
| SMILES | CC1(OC2=C(O1)C(=CC=C2)OC(=O)NCC#C)C |
| InChIKey | ZMJFTKTUGISURY-UHFFFAOYSA-N |
Product Overview
Carbamic acid, 2-propynyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester (CAS 22791-25-9), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: (2,2-dimethyl-1,3-benzodioxol-4-yl) N-prop-2-ynylcarbamate.
Chemical Property Profile of Carbamic acid, 2-propynyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester
Property Insights of Carbamic acid, 2-propynyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, 2-propynyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester. With a topological polar surface area (TPSA) of 56.8 Ų, Carbamic acid, 2-propynyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, 2-propynyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester 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 Carbamic acid, 2-propynyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester?
The CAS number of Carbamic acid, 2-propynyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester is 22791-25-9.
What is the molecular formula of Carbamic acid, 2-propynyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester?
The molecular formula of Carbamic acid, 2-propynyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester is C13H13NO4.
What is the molecular weight of Carbamic acid, 2-propynyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester?
The molecular weight of Carbamic acid, 2-propynyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester is 247.08 g/mol.
Where can I buy Carbamic acid, 2-propynyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester?
You can request a quote for Carbamic acid, 2-propynyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, 2-propynyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, 2-propynyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.