1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, ethylcarbamate
TL;DR: 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, ethylcarbamate (CAS 13887-62-2) is a chemical compound with molecular formula C13H17NO5 and molecular weight 267.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl] N-ethylcarbamate
Also Known As: SAS 524, Ethylcarbamic acid 2-(1,4-benzodioxan-2-yl)-2-hydroxyethyl ester, 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, ethylcarbamate, 5-19-03-00262 (Beilstein Handbook Reference), [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl] N-ethylcarbamate
| Molecular Formula | C13H17NO5 |
|---|---|
| Molecular Weight | 267.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.1107 |
| Heavy Atoms | 19 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 13887-62-2 |
|---|---|
| SMILES | CCNC(=O)OCC(C1COC2=CC=CC=C2O1)O |
| InChIKey | PGDADWGXMYAIFG-UHFFFAOYSA-N |
Product Overview
1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, ethylcarbamate (CAS 13887-62-2), with molecular formula C13H17NO5 and molecular weight 267.11 g/mol. IUPAC: [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl] N-ethylcarbamate.
Chemical Property Profile of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, ethylcarbamate
Property Insights of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, ethylcarbamate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, ethylcarbamate. 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)-, ethylcarbamate. Following Lipinski's Rule of Five, 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, ethylcarbamate 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
Frequently Asked Questions
What is the CAS number of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, ethylcarbamate?
The CAS number of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, ethylcarbamate is 13887-62-2.
What is the molecular formula of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, ethylcarbamate?
The molecular formula of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, ethylcarbamate is C13H17NO5.
What is the molecular weight of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, ethylcarbamate?
The molecular weight of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, ethylcarbamate is 267.11 g/mol.
Where can I buy 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, ethylcarbamate?
You can request a quote for 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, ethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, ethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, ethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.