O-Geranylsinapyl alcohol
TL;DR: O-Geranylsinapyl alcohol (CAS 77836-86-3) is a chemical compound with molecular formula C21H30O4 and molecular weight 346.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3,7-dimethylocta-2,6-dienoxy)-3,5-dimethoxyphenyl]prop-2-en-1-ol
Also Known As: Nelumol A, O-Geranylsinapyl alcohol, 3-[4-(3,7-dimethylocta-2,6-dienoxy)-3,5-dimethoxyphenyl]prop-2-en-1-ol, (2E)-3-(4-{[(2E)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL]OXY}-3,5-DIMETHOXYPHENYL)PROP-2-EN-1-OL, 2-Propen-1-ol,3-[4-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-3,5-dimethoxyphenyl]-, (2E)-
| Molecular Formula | C21H30O4 |
|---|---|
| Molecular Weight | 346.21 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 346.21442 |
| Heavy Atoms | 25 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 77836-86-3 |
|---|---|
| SMILES | CC(=CCCC(=CCOC1=C(C=C(C=C1OC)C=CCO)OC)C)C |
| InChIKey | MWNIFFJAKKQUJF-UHFFFAOYSA-N |
Product Overview
O-Geranylsinapyl alcohol (CAS 77836-86-3), with molecular formula C21H30O4 and molecular weight 346.21 g/mol. IUPAC: 3-[4-(3,7-dimethylocta-2,6-dienoxy)-3,5-dimethoxyphenyl]prop-2-en-1-ol.
Chemical Property Profile of O-Geranylsinapyl alcohol
Property Insights of O-Geranylsinapyl alcohol
The XLogP value of 4.9 indicates that O-Geranylsinapyl alcohol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, O-Geranylsinapyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Geranylsinapyl alcohol has 1 hydrogen bond donor(s) and 4 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 O-Geranylsinapyl alcohol?
The CAS number of O-Geranylsinapyl alcohol is 77836-86-3.
What is the molecular formula of O-Geranylsinapyl alcohol?
The molecular formula of O-Geranylsinapyl alcohol is C21H30O4.
What is the molecular weight of O-Geranylsinapyl alcohol?
The molecular weight of O-Geranylsinapyl alcohol is 346.21 g/mol.
Where can I buy O-Geranylsinapyl alcohol?
You can request a quote for O-Geranylsinapyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Geranylsinapyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for O-Geranylsinapyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.