3,7-Dimethyl-1-(2-phenylethoxy)octane-1,7-diol
TL;DR: 3,7-Dimethyl-1-(2-phenylethoxy)octane-1,7-diol (CAS 85665-81-2) is a chemical compound with molecular formula C18H30O3 and molecular weight 294.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyl-1-(2-phenylethoxy)octane-1,7-diol
Also Known As: 3,7-Dimethyl-1-(2-phenylethoxy)octane-1,7-diol, EINECS 288-173-0, 3,7-dimethyl-1-phenethyloxyoctane-1,7-diol, 3,7-Dimethyl-1-(2-phenylethoxy)-1,7-octanediol, 1,7-Octanediol, 3,7-dimethyl-1-(2-phenylethoxy)-
| Molecular Formula | C18H30O3 |
|---|---|
| Molecular Weight | 294.22 g/mol |
| LogP | 3.5315 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 294.21948 |
| Heavy Atoms | 21 |
| Complexity | 369.79987 |
Chemical Identifiers
| CAS Number | 85665-81-2 |
|---|---|
| SMILES | CC(CCCC(C)(C)O)CC(O)OCCC1=CC=CC=C1 |
Product Overview
3,7-Dimethyl-1-(2-phenylethoxy)octane-1,7-diol (CAS 85665-81-2), with molecular formula C18H30O3 and molecular weight 294.22 g/mol. IUPAC: 3,7-dimethyl-1-(2-phenylethoxy)octane-1,7-diol.
Chemical Property Profile of 3,7-Dimethyl-1-(2-phenylethoxy)octane-1,7-diol
Property Insights of 3,7-Dimethyl-1-(2-phenylethoxy)octane-1,7-diol
The XLogP value of 3.5315 indicates that 3,7-Dimethyl-1-(2-phenylethoxy)octane-1,7-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.69 Ų, 3,7-Dimethyl-1-(2-phenylethoxy)octane-1,7-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethyl-1-(2-phenylethoxy)octane-1,7-diol has 2 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 3,7-Dimethyl-1-(2-phenylethoxy)octane-1,7-diol?
The CAS number of 3,7-Dimethyl-1-(2-phenylethoxy)octane-1,7-diol is 85665-81-2.
What is the molecular formula of 3,7-Dimethyl-1-(2-phenylethoxy)octane-1,7-diol?
The molecular formula of 3,7-Dimethyl-1-(2-phenylethoxy)octane-1,7-diol is C18H30O3.
What is the molecular weight of 3,7-Dimethyl-1-(2-phenylethoxy)octane-1,7-diol?
The molecular weight of 3,7-Dimethyl-1-(2-phenylethoxy)octane-1,7-diol is 294.22 g/mol.
Where can I buy 3,7-Dimethyl-1-(2-phenylethoxy)octane-1,7-diol?
You can request a quote for 3,7-Dimethyl-1-(2-phenylethoxy)octane-1,7-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dimethyl-1-(2-phenylethoxy)octane-1,7-diol?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethyl-1-(2-phenylethoxy)octane-1,7-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.