1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isobutylcarbamate
TL;DR: 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isobutylcarbamate (CAS 13887-57-5) is a chemical compound with molecular formula C15H21NO5 and molecular weight 295.14 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-(2-methylpropyl)carbamate
Also Known As: SAS 529, 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isobutylcarbamate, Isobutylcarbamic acid 2-(1,4-benzodioxan-2-yl)-2-hydroxyethyl ester, 1-(1,4-Benzodioxan-2-yl)-1,2-ethanediol 2-isobutylcarbamate, [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl] N-(2-methylpropyl)carbamate
| Molecular Formula | C15H21NO5 |
|---|---|
| Molecular Weight | 295.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.14197 |
| Heavy Atoms | 21 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 13887-57-5 |
|---|---|
| SMILES | CC(C)CNC(=O)OCC(C1COC2=CC=CC=C2O1)O |
| InChIKey | LMWSHNLEYBZEOC-UHFFFAOYSA-N |
Product Overview
1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isobutylcarbamate (CAS 13887-57-5), with molecular formula C15H21NO5 and molecular weight 295.14 g/mol. IUPAC: [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl] N-(2-methylpropyl)carbamate.
Chemical Property Profile of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isobutylcarbamate
Property Insights of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isobutylcarbamate
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)-, isobutylcarbamate. 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)-, isobutylcarbamate. Following Lipinski's Rule of Five, 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isobutylcarbamate 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)-, isobutylcarbamate?
The CAS number of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isobutylcarbamate is 13887-57-5.
What is the molecular formula of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isobutylcarbamate?
The molecular formula of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isobutylcarbamate is C15H21NO5.
What is the molecular weight of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isobutylcarbamate?
The molecular weight of 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isobutylcarbamate is 295.14 g/mol.
Where can I buy 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isobutylcarbamate?
You can request a quote for 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isobutylcarbamate 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)-, isobutylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Ethanediol, 1-(1,4-benzodioxan-2-yl)-, isobutylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.