1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, 2-(allylcarbamate)
TL;DR: 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, 2-(allylcarbamate) (CAS 13973-71-2) is a chemical compound with molecular formula C14H17NO5 and molecular weight 279.11 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-prop-2-enylcarbamate
Also Known As: SAS 526, Allylcarbamic acid 2-(1,4-benzodioxan-2-yl)-2-hydroxyethyl ester, 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, 2-(allylcarbamate), Carbamic acid, allyl-, 2-(1,4-benzodioxan-2-yl)-2-hydroxyethyl ester, [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl] N-prop-2-enylcarbamate
| Molecular Formula | C14H17NO5 |
|---|---|
| Molecular Weight | 279.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.1107 |
| Heavy Atoms | 20 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 13973-71-2 |
|---|---|
| SMILES | C=CCNC(=O)OCC(C1COC2=CC=CC=C2O1)O |
| InChIKey | VCTNHPKSHQKNAO-UHFFFAOYSA-N |
Product Overview
1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, 2-(allylcarbamate) (CAS 13973-71-2), with molecular formula C14H17NO5 and molecular weight 279.11 g/mol. IUPAC: [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl] N-prop-2-enylcarbamate.
Chemical Property Profile of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, 2-(allylcarbamate)
Property Insights of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, 2-(allylcarbamate)
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, 2-(allylcarbamate). 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)-, 2-(allylcarbamate). Following Lipinski's Rule of Five, 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, 2-(allylcarbamate) 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)-, 2-(allylcarbamate)?
The CAS number of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, 2-(allylcarbamate) is 13973-71-2.
What is the molecular formula of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, 2-(allylcarbamate)?
The molecular formula of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, 2-(allylcarbamate) is C14H17NO5.
What is the molecular weight of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, 2-(allylcarbamate)?
The molecular weight of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, 2-(allylcarbamate) is 279.11 g/mol.
Where can I buy 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, 2-(allylcarbamate)?
You can request a quote for 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, 2-(allylcarbamate) 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)-, 2-(allylcarbamate)?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, 2-(allylcarbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.