1,3-Propanediol, 2-ethyl-2-isobutyl-
TL;DR: 1,3-Propanediol, 2-ethyl-2-isobutyl- (CAS 25450-92-4) is a chemical compound with molecular formula C9H20O2 and molecular weight 160.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-2-(2-methylpropyl)propane-1,3-diol
Also Known As: 2-Ethyl-2-isobutyl-1,3-propanediol, 1,3-Propanediol, 2-ethyl-2-isobutyl-, 2-ethyl-2-(2-methylpropyl)propane-1,3-diol, 2-ethyl-2-isobutylpropane-1,3-diol, 4-Methyl-2-hydroxymethyl-2-ethyl-pentanol-(1)
| Molecular Formula | C9H20O2 |
|---|---|
| Molecular Weight | 160.15 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.14633 |
| Heavy Atoms | 11 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 25450-92-4 |
|---|---|
| SMILES | CCC(CC(C)C)(CO)CO |
| InChIKey | QNKRHLZUPSSIPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Propanediol, 2-ethyl-2-isobutyl- (CAS 25450-92-4), with molecular formula C9H20O2 and molecular weight 160.15 g/mol. IUPAC: 2-ethyl-2-(2-methylpropyl)propane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2-ethyl-2-isobutyl-
Property Insights of 1,3-Propanediol, 2-ethyl-2-isobutyl-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-ethyl-2-isobutyl-. With a topological polar surface area (TPSA) of 40.5 Ų, 1,3-Propanediol, 2-ethyl-2-isobutyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-ethyl-2-isobutyl- 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
Frequently Asked Questions
What is the CAS number of 1,3-Propanediol, 2-ethyl-2-isobutyl-?
The CAS number of 1,3-Propanediol, 2-ethyl-2-isobutyl- is 25450-92-4.
What is the molecular formula of 1,3-Propanediol, 2-ethyl-2-isobutyl-?
The molecular formula of 1,3-Propanediol, 2-ethyl-2-isobutyl- is C9H20O2.
What is the molecular weight of 1,3-Propanediol, 2-ethyl-2-isobutyl-?
The molecular weight of 1,3-Propanediol, 2-ethyl-2-isobutyl- is 160.15 g/mol.
Where can I buy 1,3-Propanediol, 2-ethyl-2-isobutyl-?
You can request a quote for 1,3-Propanediol, 2-ethyl-2-isobutyl- 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-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-ethyl-2-isobutyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.