1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isopropylcarbamate
TL;DR: 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isopropylcarbamate (CAS 13887-59-7) is a chemical compound with molecular formula C14H19NO5 and molecular weight 281.13 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-propan-2-ylcarbamate
Also Known As: SAS 506, 2-(1,4-Benzodioxan-2-yl)-2-hydroxyethyl isopropylcarbamate, 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isopropylcarbamate, 2-(1,4-Benzodiossan-2-il)-2-idrossietil-N-isopropil-1-carbammato [Italian], Carbamic acid, isopropyl-, 2-(1,4-benzodioxan-2-yl)-2-hydroxyethyl ester
| Molecular Formula | C14H19NO5 |
|---|---|
| Molecular Weight | 281.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.1263 |
| Heavy Atoms | 20 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 13887-59-7 |
|---|---|
| SMILES | CC(C)NC(=O)OCC(C1COC2=CC=CC=C2O1)O |
| InChIKey | HHPCQLLZYJQHJX-UHFFFAOYSA-N |
Product Overview
1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isopropylcarbamate (CAS 13887-59-7), with molecular formula C14H19NO5 and molecular weight 281.13 g/mol. IUPAC: [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl] N-propan-2-ylcarbamate.
Chemical Property Profile of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isopropylcarbamate
Property Insights of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isopropylcarbamate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isopropylcarbamate. 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)-, isopropylcarbamate. Following Lipinski's Rule of Five, 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isopropylcarbamate 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)-, isopropylcarbamate?
The CAS number of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isopropylcarbamate is 13887-59-7.
What is the molecular formula of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isopropylcarbamate?
The molecular formula of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isopropylcarbamate is C14H19NO5.
What is the molecular weight of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isopropylcarbamate?
The molecular weight of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isopropylcarbamate is 281.13 g/mol.
Where can I buy 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isopropylcarbamate?
You can request a quote for 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isopropylcarbamate 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)-, isopropylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isopropylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.