Benzestrol
TL;DR: Benzestrol (CAS 85-95-0) is a chemical compound with molecular formula C20H26O2 and molecular weight 298.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-ethyl-4-(4-hydroxyphenyl)hexan-2-yl]phenol
Also Known As: Benzoestrol, Chemestrogen, Octofollin, Ocestrol, Benzestrolo
| Molecular Formula | C20H26O2 |
|---|---|
| Molecular Weight | 298.19 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.19327 |
| Heavy Atoms | 22 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 85-95-0 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)O)C(CC)C(C)C2=CC=C(C=C2)O |
| InChIKey | DUTFBSAKKUNBAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzestrol (CAS 85-95-0), with molecular formula C20H26O2 and molecular weight 298.19 g/mol. IUPAC: 4-[3-ethyl-4-(4-hydroxyphenyl)hexan-2-yl]phenol.
Chemical Property Profile of Benzestrol
Property Insights of Benzestrol
The XLogP value of 6.0 indicates that Benzestrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Benzestrol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzestrol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzestrol?
The CAS number of Benzestrol is 85-95-0.
What is the molecular formula of Benzestrol?
The molecular formula of Benzestrol is C20H26O2.
What is the molecular weight of Benzestrol?
The molecular weight of Benzestrol is 298.19 g/mol.
Where can I buy Benzestrol?
You can request a quote for Benzestrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzestrol?
Yes, KEHONG BIO provides custom synthesis services for Benzestrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.