1,3-Propanediol, 2-ethyl-2-isopentyl-
TL;DR: 1,3-Propanediol, 2-ethyl-2-isopentyl- (CAS 52945-06-9) is a chemical compound with molecular formula C10H22O2 and molecular weight 174.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-2-(3-methylbutyl)propane-1,3-diol
Also Known As: 1,3-Propanediol, 2-ethyl-2-isopentyl-, 2-Ethyl-2-isopentyl-1,3-propanediol, 2-ethyl-2-(3-methylbutyl)propane-1,3-diol, 2-ethyl-2-(3-methyl-butyl)-propane-1,3-diol, 4-01-00-02621 (Beilstein Handbook Reference)
| Molecular Formula | C10H22O2 |
|---|---|
| Molecular Weight | 174.16 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.16199 |
| Heavy Atoms | 12 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 52945-06-9 |
|---|---|
| SMILES | CCC(CCC(C)C)(CO)CO |
| InChIKey | NUIKGQMJEKJURJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Propanediol, 2-ethyl-2-isopentyl- (CAS 52945-06-9), with molecular formula C10H22O2 and molecular weight 174.16 g/mol. IUPAC: 2-ethyl-2-(3-methylbutyl)propane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2-ethyl-2-isopentyl-
Property Insights of 1,3-Propanediol, 2-ethyl-2-isopentyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-ethyl-2-isopentyl-. With a topological polar surface area (TPSA) of 40.5 Ų, 1,3-Propanediol, 2-ethyl-2-isopentyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-ethyl-2-isopentyl- 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-isopentyl-?
The CAS number of 1,3-Propanediol, 2-ethyl-2-isopentyl- is 52945-06-9.
What is the molecular formula of 1,3-Propanediol, 2-ethyl-2-isopentyl-?
The molecular formula of 1,3-Propanediol, 2-ethyl-2-isopentyl- is C10H22O2.
What is the molecular weight of 1,3-Propanediol, 2-ethyl-2-isopentyl-?
The molecular weight of 1,3-Propanediol, 2-ethyl-2-isopentyl- is 174.16 g/mol.
Where can I buy 1,3-Propanediol, 2-ethyl-2-isopentyl-?
You can request a quote for 1,3-Propanediol, 2-ethyl-2-isopentyl- 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-isopentyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-ethyl-2-isopentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.