1'-Hydroxyestragole
TL;DR: 1'-Hydroxyestragole (CAS 51410-44-7) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)prop-2-en-1-ol
Also Known As: 1'-Hydroxyestragole, 1-(4-methoxyphenyl)prop-2-en-1-ol, 1-Hydroxyestragole, Estragole, 1'-hydroxy-, Estragole,1'-hydroxy
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 51410-44-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C=C)O |
| InChIKey | RUPMSBPCFQDMAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1'-Hydroxyestragole (CAS 51410-44-7), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 1-(4-methoxyphenyl)prop-2-en-1-ol.
Chemical Property Profile of 1'-Hydroxyestragole
Property Insights of 1'-Hydroxyestragole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1'-Hydroxyestragole. With a topological polar surface area (TPSA) of 29.5 Ų, 1'-Hydroxyestragole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1'-Hydroxyestragole has 1 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 1'-Hydroxyestragole?
The CAS number of 1'-Hydroxyestragole is 51410-44-7.
What is the molecular formula of 1'-Hydroxyestragole?
The molecular formula of 1'-Hydroxyestragole is C10H12O2.
What is the molecular weight of 1'-Hydroxyestragole?
The molecular weight of 1'-Hydroxyestragole is 164.08 g/mol.
Where can I buy 1'-Hydroxyestragole?
You can request a quote for 1'-Hydroxyestragole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1'-Hydroxyestragole?
Yes, KEHONG BIO provides custom synthesis services for 1'-Hydroxyestragole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.