1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, butylcarbamate
TL;DR: 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, butylcarbamate (CAS 13887-58-6) is a chemical compound with molecular formula C15H21NO5 and molecular weight 295.14197 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl] N-butylcarbamate
Also Known As: SAS 528, 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, butylcarbamate, 1-(1,4-Benzodioxan-2-yl)-1,2-ethanediol 2-butylcarbamate, Butylcarbamic acid 2-(1,4-benzodioxan-2-yl)-2-hydroxyethyl ester, [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl] N-butylcarbamate
Technical Specifications
| Molecular Formula | C15H21NO5 |
| Molecular Weight | 295.14197 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 77.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 295.14197 Da |
| Heavy Atoms | 21 |
| Complexity | 325.0 |
| SMILES | CCCCNC(=O)OCC(C1COC2=CC=CC=C2O1)O |
| InChIKey | OSHJUNVBBOHVAI-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, butylcarbamate
Property Insights of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, butylcarbamate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, butylcarbamate. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, butylcarbamate. Following Lipinski's Rule of Five, 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, butylcarbamate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, butylcarbamate?
The CAS number of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, butylcarbamate is 13887-58-6.
What is the molecular formula of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, butylcarbamate?
The molecular formula of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, butylcarbamate is C15H21NO5.
What is the molecular weight of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, butylcarbamate?
The molecular weight of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, butylcarbamate is 295.14197 g/mol.
Where can I buy 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, butylcarbamate?
You can request a quote for 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, butylcarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, butylcarbamate?
Yes, CoreyChem provides custom synthesis services for 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.