2,2-Diethyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate
TL;DR: 2,2-Diethyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate (CAS 5334-82-7) is a chemical compound with molecular formula C15H19NO5 and molecular weight 293.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-diethyl-1,3-benzodioxol-4-yl) N-acetyl-N-methylcarbamate
Also Known As: 5'-Adenylic acid,2-(6-cyano-1-hexynyl), 2,2-diethyl-1,3-benzodioxol-4-yl acetyl(methyl)carbamate, Acetylmethylcarbamic acid 2,2-diethyl-1,3-benzodioxol-4-yl ester, 2,2-Diethyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate, Carbamic acid, acetylmethyl-, 2,2-diethyl-1,3-benzodioxol-4-yl ester
| Molecular Formula | C15H19NO5 |
|---|---|
| Molecular Weight | 293.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.1263 |
| Heavy Atoms | 21 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 5334-82-7 |
|---|---|
| SMILES | CCC1(OC2=C(O1)C(=CC=C2)OC(=O)N(C)C(=O)C)CC |
| InChIKey | NQQWCDMYWSQASG-UHFFFAOYSA-N |
Product Overview
2,2-Diethyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate (CAS 5334-82-7), with molecular formula C15H19NO5 and molecular weight 293.13 g/mol. IUPAC: (2,2-diethyl-1,3-benzodioxol-4-yl) N-acetyl-N-methylcarbamate.
Chemical Property Profile of 2,2-Diethyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate
Property Insights of 2,2-Diethyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Diethyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Diethyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate. Following Lipinski's Rule of Five, 2,2-Diethyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate has 0 hydrogen bond donor(s) and 5 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 2,2-Diethyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate?
The CAS number of 2,2-Diethyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate is 5334-82-7.
What is the molecular formula of 2,2-Diethyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate?
The molecular formula of 2,2-Diethyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate is C15H19NO5.
What is the molecular weight of 2,2-Diethyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate?
The molecular weight of 2,2-Diethyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate is 293.13 g/mol.
Where can I buy 2,2-Diethyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate?
You can request a quote for 2,2-Diethyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Diethyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Diethyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.