1,3-Propanediol, 2-ethyl-2-propyl-
TL;DR: 1,3-Propanediol, 2-ethyl-2-propyl- (CAS 25450-88-8) is a chemical compound with molecular formula C8H18O2 and molecular weight 146.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethyl-2-propylpropane-1,3-diol
Also Known As: 2-Ethyl-2-propyl-1,3-propanediol, 2-ethyl-2-propylpropane-1,3-diol, 1,3-Propanediol, 2-ethyl-2-propyl-, 2-n-propyl-2-ethyl-1,3-propanediol, BRN 1847379
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H18O2 |
| Molecular Weight | 146.13068 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.13068 Da |
| Heavy Atoms | 10 |
| Complexity | 77.0 |
| SMILES | CCCC(CC)(CO)CO |
| InChIKey | QPIAAQDLOJNQMP-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Propanediol, 2-ethyl-2-propyl-
Property Insights of 1,3-Propanediol, 2-ethyl-2-propyl-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-ethyl-2-propyl-. With a topological polar surface area (TPSA) of 40.5 Ų, 1,3-Propanediol, 2-ethyl-2-propyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-ethyl-2-propyl- has 2 hydrogen bond donor(s) and 2 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-propyl-?
The CAS number of 1,3-Propanediol, 2-ethyl-2-propyl- is 25450-88-8.
What is the molecular formula of 1,3-Propanediol, 2-ethyl-2-propyl-?
The molecular formula of 1,3-Propanediol, 2-ethyl-2-propyl- is C8H18O2.
What is the molecular weight of 1,3-Propanediol, 2-ethyl-2-propyl-?
The molecular weight of 1,3-Propanediol, 2-ethyl-2-propyl- is 146.13068 g/mol.
Where can I buy 1,3-Propanediol, 2-ethyl-2-propyl-?
You can request a quote for 1,3-Propanediol, 2-ethyl-2-propyl- 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-propyl-?
Yes, CoreyChem provides custom synthesis services for 1,3-Propanediol, 2-ethyl-2-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.