1,3-Propanediol, 2-ethyl-2-pentyl-, dicarbamate
TL;DR: 1,3-Propanediol, 2-ethyl-2-pentyl-, dicarbamate (CAS 25450-94-6) is a chemical compound with molecular formula C12H24N2O4 and molecular weight 260.1736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(carbamoyloxymethyl)-2-ethylheptyl] carbamate
Also Known As: 1,3-Propanediol, 2-ethyl-2-pentyl-, dicarbamate, KST-1B2392, 2-Ethyl-2-pentyl-1,3-propanediol dicarbamate, 2-Aethyl-2-pentyl-1,3-dicarbamoyloxy-propan, [2-(carbamoyloxymethyl)-2-ethylheptyl] carbamate
Technical Specifications
| Molecular Formula | C12H24N2O4 |
| Molecular Weight | 260.1736 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 260.1736 Da |
| Heavy Atoms | 18 |
| Complexity | 251.0 |
| SMILES | CCCCCC(CC)(COC(=O)N)COC(=O)N |
| InChIKey | SIZKTOWSJXBSSB-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Propanediol, 2-ethyl-2-pentyl-, dicarbamate
Property Insights of 1,3-Propanediol, 2-ethyl-2-pentyl-, dicarbamate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-ethyl-2-pentyl-, dicarbamate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-ethyl-2-pentyl-, dicarbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-ethyl-2-pentyl-, 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
What is the CAS number of 1,3-Propanediol, 2-ethyl-2-pentyl-, dicarbamate?
The CAS number of 1,3-Propanediol, 2-ethyl-2-pentyl-, dicarbamate is 25450-94-6.
What is the molecular formula of 1,3-Propanediol, 2-ethyl-2-pentyl-, dicarbamate?
The molecular formula of 1,3-Propanediol, 2-ethyl-2-pentyl-, dicarbamate is C12H24N2O4.
What is the molecular weight of 1,3-Propanediol, 2-ethyl-2-pentyl-, dicarbamate?
The molecular weight of 1,3-Propanediol, 2-ethyl-2-pentyl-, dicarbamate is 260.1736 g/mol.
Where can I buy 1,3-Propanediol, 2-ethyl-2-pentyl-, dicarbamate?
You can request a quote for 1,3-Propanediol, 2-ethyl-2-pentyl-, dicarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Propanediol, 2-ethyl-2-pentyl-, dicarbamate?
Yes, CoreyChem provides custom synthesis services for 1,3-Propanediol, 2-ethyl-2-pentyl-, dicarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.