2,2-二乙基-1,3-丙二醇
TL;DR: 2,2-二乙基-1,3-丙二醇 (CAS 115-76-4) is a chemical compound with molecular formula C7H16O2 and molecular weight 132.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-二乙基-1,3-丙二醇
2,2-diethylpropane-1,3-diol
Also Known As: Prenderol, 2,2-DIETHYL-1,3-PROPANEDIOL, Dietilpropandiolo, 2,2-Diethylpropane-1,3-diol, Penderol
| Molecular Formula | C7H16O2 |
|---|---|
| Molecular Weight | 132.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.11504 |
| Heavy Atoms | 9 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 115-76-4 |
|---|---|
| SMILES | CCC(CC)(CO)CO |
| InChIKey | XRVCFZPJAHWYTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-二乙基-1,3-丙二醇 (CAS 115-76-4), with molecular formula C7H16O2 and molecular weight 132.12 g/mol. IUPAC: 2,2-diethylpropane-1,3-diol.
Chemical Property Profile of 2,2-二乙基-1,3-丙二醇
Property Insights of 2,2-二乙基-1,3-丙二醇
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-二乙基-1,3-丙二醇. With a topological polar surface area (TPSA) of 40.5 Ų, 2,2-二乙基-1,3-丙二醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-二乙基-1,3-丙二醇 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 2,2-二乙基-1,3-丙二醇?
The CAS number of 2,2-二乙基-1,3-丙二醇 is 115-76-4.
What is the molecular formula of 2,2-二乙基-1,3-丙二醇?
The molecular formula of 2,2-二乙基-1,3-丙二醇 is C7H16O2.
What is the molecular weight of 2,2-二乙基-1,3-丙二醇?
The molecular weight of 2,2-二乙基-1,3-丙二醇 is 132.12 g/mol.
Where can I buy 2,2-二乙基-1,3-丙二醇?
You can request a quote for 2,2-二乙基-1,3-丙二醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-二乙基-1,3-丙二醇?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二乙基-1,3-丙二醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.