3-Ethoxypentane
TL;DR: 3-Ethoxypentane (CAS 36749-13-0) is a chemical compound with molecular formula C7H16O and molecular weight 116.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxypentane
Also Known As: 3-ETHOXYPENTANE, Pentane,3-ethoxy, Pentane, 3-ethoxy-, 3-Ethoxypentane #, RefChem:1067712
| Molecular Formula | C7H16O |
|---|---|
| Molecular Weight | 116.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 116.12012 |
| Heavy Atoms | 8 |
| Complexity | 39.0 |
Chemical Identifiers
| CAS Number | 36749-13-0 |
|---|---|
| SMILES | CCC(CC)OCC |
| InChIKey | BMAINLNHNVARHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethoxypentane (CAS 36749-13-0), with molecular formula C7H16O and molecular weight 116.12 g/mol. IUPAC: 3-ethoxypentane.
Chemical Property Profile of 3-Ethoxypentane
Property Insights of 3-Ethoxypentane
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethoxypentane. With a topological polar surface area (TPSA) of 9.2 Ų, 3-Ethoxypentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethoxypentane has 0 hydrogen bond donor(s) and 1 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 3-Ethoxypentane?
The CAS number of 3-Ethoxypentane is 36749-13-0.
What is the molecular formula of 3-Ethoxypentane?
The molecular formula of 3-Ethoxypentane is C7H16O.
What is the molecular weight of 3-Ethoxypentane?
The molecular weight of 3-Ethoxypentane is 116.12 g/mol.
Where can I buy 3-Ethoxypentane?
You can request a quote for 3-Ethoxypentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxypentane?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxypentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.