2-Butyl-2-ethyl-1,3-propanediol
TL;DR: 2-Butyl-2-ethyl-1,3-propanediol (CAS 115-84-4) 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-butyl-2-ethylpropane-1,3-diol
Also Known As: 2-Butyl-2-ethyl-1,3-propanediol, 2-butyl-2-ethylpropane-1,3-diol, BEPD, 3,3-Bis(hydroxymethyl)heptane, Caswell No. 129
| Molecular Formula | C9H20O2 |
|---|---|
| Molecular Weight | 160.15 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 160.14633 |
| Heavy Atoms | 11 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 115-84-4 |
|---|---|
| SMILES | CCCCC(CC)(CO)CO |
| InChIKey | DSKYSDCYIODJPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butyl-2-ethyl-1,3-propanediol (CAS 115-84-4), with molecular formula C9H20O2 and molecular weight 160.15 g/mol. IUPAC: 2-butyl-2-ethylpropane-1,3-diol.
Chemical Property Profile of 2-Butyl-2-ethyl-1,3-propanediol
Property Insights of 2-Butyl-2-ethyl-1,3-propanediol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyl-2-ethyl-1,3-propanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 2-Butyl-2-ethyl-1,3-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyl-2-ethyl-1,3-propanediol 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-Butyl-2-ethyl-1,3-propanediol?
The CAS number of 2-Butyl-2-ethyl-1,3-propanediol is 115-84-4.
What is the molecular formula of 2-Butyl-2-ethyl-1,3-propanediol?
The molecular formula of 2-Butyl-2-ethyl-1,3-propanediol is C9H20O2.
What is the molecular weight of 2-Butyl-2-ethyl-1,3-propanediol?
The molecular weight of 2-Butyl-2-ethyl-1,3-propanediol is 160.15 g/mol.
Where can I buy 2-Butyl-2-ethyl-1,3-propanediol?
You can request a quote for 2-Butyl-2-ethyl-1,3-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyl-2-ethyl-1,3-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl-2-ethyl-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.