1,3-Propanediol, 2-ethyl-2-isobutyl-, dicarbamate
TL;DR: 1,3-Propanediol, 2-ethyl-2-isobutyl-, dicarbamate (CAS 25450-91-3) is a chemical compound with molecular formula C11H22N2O4 and molecular weight 246.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(carbamoyloxymethyl)-2-ethyl-4-methylpentyl] carbamate
Also Known As: 1,3-Propanediol, 2-ethyl-2-isobutyl-, dicarbamate, 2-Ethyl-2-isobutyl-1,3-propanediol dicarbamate, 1,3-propanediol, 2-ethyl-2-(2-methylpropyl)-, dicarbamate, Dicarbamic acid 2-ethyl-2-isobutyltrimethylene ester, [2-(carbamoyloxymethyl)-2-ethyl-4-methylpentyl] carbamate
| Molecular Formula | C11H22N2O4 |
|---|---|
| Molecular Weight | 246.16 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 246.15796 |
| Heavy Atoms | 17 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 25450-91-3 |
|---|---|
| SMILES | CCC(CC(C)C)(COC(=O)N)COC(=O)N |
| InChIKey | OQOHSPIPPVKMOW-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-ethyl-2-isobutyl-, dicarbamate (CAS 25450-91-3), with molecular formula C11H22N2O4 and molecular weight 246.16 g/mol. IUPAC: [2-(carbamoyloxymethyl)-2-ethyl-4-methylpentyl] carbamate.
Chemical Property Profile of 1,3-Propanediol, 2-ethyl-2-isobutyl-, dicarbamate
Property Insights of 1,3-Propanediol, 2-ethyl-2-isobutyl-, dicarbamate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-ethyl-2-isobutyl-, dicarbamate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-ethyl-2-isobutyl-, dicarbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-ethyl-2-isobutyl-, dicarbamate has 2 hydrogen bond donor(s) and 4 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 1,3-Propanediol, 2-ethyl-2-isobutyl-, dicarbamate?
The CAS number of 1,3-Propanediol, 2-ethyl-2-isobutyl-, dicarbamate is 25450-91-3.
What is the molecular formula of 1,3-Propanediol, 2-ethyl-2-isobutyl-, dicarbamate?
The molecular formula of 1,3-Propanediol, 2-ethyl-2-isobutyl-, dicarbamate is C11H22N2O4.
What is the molecular weight of 1,3-Propanediol, 2-ethyl-2-isobutyl-, dicarbamate?
The molecular weight of 1,3-Propanediol, 2-ethyl-2-isobutyl-, dicarbamate is 246.16 g/mol.
Where can I buy 1,3-Propanediol, 2-ethyl-2-isobutyl-, dicarbamate?
You can request a quote for 1,3-Propanediol, 2-ethyl-2-isobutyl-, dicarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2-ethyl-2-isobutyl-, dicarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-ethyl-2-isobutyl-, dicarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.