4,4-Diethoxybutan-1-ol
TL;DR: 4,4-Diethoxybutan-1-ol (CAS 70216-75-0) is a chemical compound with molecular formula C8H18O3 and molecular weight 162.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-diethoxybutan-1-ol
Also Known As: 4,4-diethoxybutan-1-ol, RefChem:284929
| Molecular Formula | C8H18O3 |
|---|---|
| Molecular Weight | 162.13 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 162.1256 |
| Heavy Atoms | 11 |
| Complexity | 69.0 |
Chemical Identifiers
| CAS Number | 70216-75-0 |
|---|---|
| SMILES | CCOC(CCCO)OCC |
| InChIKey | SRTYNRIVGWETHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-Diethoxybutan-1-ol (CAS 70216-75-0), with molecular formula C8H18O3 and molecular weight 162.13 g/mol. IUPAC: 4,4-diethoxybutan-1-ol.
Chemical Property Profile of 4,4-Diethoxybutan-1-ol
Property Insights of 4,4-Diethoxybutan-1-ol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Diethoxybutan-1-ol. With a topological polar surface area (TPSA) of 38.7 Ų, 4,4-Diethoxybutan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Diethoxybutan-1-ol has 1 hydrogen bond donor(s) and 3 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 4,4-Diethoxybutan-1-ol?
The CAS number of 4,4-Diethoxybutan-1-ol is 70216-75-0.
What is the molecular formula of 4,4-Diethoxybutan-1-ol?
The molecular formula of 4,4-Diethoxybutan-1-ol is C8H18O3.
What is the molecular weight of 4,4-Diethoxybutan-1-ol?
The molecular weight of 4,4-Diethoxybutan-1-ol is 162.13 g/mol.
Where can I buy 4,4-Diethoxybutan-1-ol?
You can request a quote for 4,4-Diethoxybutan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Diethoxybutan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Diethoxybutan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.