1,3-Propanediol, 2-ethoxy-2-ethyl-, dicarbamate
TL;DR: 1,3-Propanediol, 2-ethoxy-2-ethyl-, dicarbamate (CAS 30580-35-9) is a chemical compound with molecular formula C9H18N2O5 and molecular weight 234.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(carbamoyloxymethyl)-2-ethoxybutyl] carbamate
Also Known As: 2-Ethoxy-2-ethyl-1,3-propanediol dicarbamate, 1,3-Propanediol, 2-ethoxy-2-ethyl-, dicarbamate, [2-(carbamoyloxymethyl)-2-ethoxybutyl] carbamate, 2-[(carbamoyloxy)methyl]-2-ethoxybutyl carbamate(non-preferred name), RefChem:1053034
| Molecular Formula | C9H18N2O5 |
|---|---|
| Molecular Weight | 234.12 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 234.12157 |
| Heavy Atoms | 16 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 30580-35-9 |
|---|---|
| SMILES | CCC(COC(=O)N)(COC(=O)N)OCC |
| InChIKey | PEKWXHQFRRGPTK-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-ethoxy-2-ethyl-, dicarbamate (CAS 30580-35-9), with molecular formula C9H18N2O5 and molecular weight 234.12 g/mol. IUPAC: [2-(carbamoyloxymethyl)-2-ethoxybutyl] carbamate.
Chemical Property Profile of 1,3-Propanediol, 2-ethoxy-2-ethyl-, dicarbamate
Property Insights of 1,3-Propanediol, 2-ethoxy-2-ethyl-, dicarbamate
The XLogP value of -0.1 indicates that 1,3-Propanediol, 2-ethoxy-2-ethyl-, dicarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-ethoxy-2-ethyl-, dicarbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-ethoxy-2-ethyl-, dicarbamate 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 1,3-Propanediol, 2-ethoxy-2-ethyl-, dicarbamate?
The CAS number of 1,3-Propanediol, 2-ethoxy-2-ethyl-, dicarbamate is 30580-35-9.
What is the molecular formula of 1,3-Propanediol, 2-ethoxy-2-ethyl-, dicarbamate?
The molecular formula of 1,3-Propanediol, 2-ethoxy-2-ethyl-, dicarbamate is C9H18N2O5.
What is the molecular weight of 1,3-Propanediol, 2-ethoxy-2-ethyl-, dicarbamate?
The molecular weight of 1,3-Propanediol, 2-ethoxy-2-ethyl-, dicarbamate is 234.12 g/mol.
Where can I buy 1,3-Propanediol, 2-ethoxy-2-ethyl-, dicarbamate?
You can request a quote for 1,3-Propanediol, 2-ethoxy-2-ethyl-, 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-ethoxy-2-ethyl-, dicarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-ethoxy-2-ethyl-, dicarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.