1,3-Propanediol, 2,2-diethyl-, bis(diethylcarbamate)
TL;DR: 1,3-Propanediol, 2,2-diethyl-, bis(diethylcarbamate) (CAS 25648-90-2) is a chemical compound with molecular formula C17H34N2O4 and molecular weight 330.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(diethylcarbamoyloxymethyl)-2-ethylbutyl] N,N-diethylcarbamate
Also Known As: 1,3-Propanediol, 2,2-diethyl-, bis(diethylcarbamate), 2,2-Diethyl-1,3-propanediol bis(diethylcarbamate), 4-04-00-00379 (Beilstein Handbook Reference), Carbamic acid, diethyl-, 2,2-diethyltrimethylene ester, Bis(N,N-diethylcarbamic acid)2,2-diethyltrimethylene ester
| Molecular Formula | C17H34N2O4 |
|---|---|
| Molecular Weight | 330.25 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 330.25186 |
| Heavy Atoms | 23 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 25648-90-2 |
|---|---|
| SMILES | CCC(CC)(COC(=O)N(CC)CC)COC(=O)N(CC)CC |
| InChIKey | SNUBBWAURMSPJZ-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2,2-diethyl-, bis(diethylcarbamate) (CAS 25648-90-2), with molecular formula C17H34N2O4 and molecular weight 330.25 g/mol. IUPAC: [2-(diethylcarbamoyloxymethyl)-2-ethylbutyl] N,N-diethylcarbamate.
Chemical Property Profile of 1,3-Propanediol, 2,2-diethyl-, bis(diethylcarbamate)
Property Insights of 1,3-Propanediol, 2,2-diethyl-, bis(diethylcarbamate)
The XLogP value of 3.4 indicates that 1,3-Propanediol, 2,2-diethyl-, bis(diethylcarbamate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, 1,3-Propanediol, 2,2-diethyl-, bis(diethylcarbamate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2,2-diethyl-, bis(diethylcarbamate) has 0 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, 2,2-diethyl-, bis(diethylcarbamate)?
The CAS number of 1,3-Propanediol, 2,2-diethyl-, bis(diethylcarbamate) is 25648-90-2.
What is the molecular formula of 1,3-Propanediol, 2,2-diethyl-, bis(diethylcarbamate)?
The molecular formula of 1,3-Propanediol, 2,2-diethyl-, bis(diethylcarbamate) is C17H34N2O4.
What is the molecular weight of 1,3-Propanediol, 2,2-diethyl-, bis(diethylcarbamate)?
The molecular weight of 1,3-Propanediol, 2,2-diethyl-, bis(diethylcarbamate) is 330.25 g/mol.
Where can I buy 1,3-Propanediol, 2,2-diethyl-, bis(diethylcarbamate)?
You can request a quote for 1,3-Propanediol, 2,2-diethyl-, bis(diethylcarbamate) 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, 2,2-diethyl-, bis(diethylcarbamate)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2,2-diethyl-, bis(diethylcarbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.