Benzestrol
TL;DR: Benzestrol (CAS 85-95-0) is a chemical compound with molecular formula C20H26O2 and molecular weight 298.19327 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[3-ethyl-4-(4-hydroxyphenyl)hexan-2-yl]phenol
Also Known As: Benzoestrol, Chemestrogen, Octofollin, Ocestrol, Benzestrolo
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H26O2 |
| Molecular Weight | 298.19327 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.19327 Da |
| Heavy Atoms | 22 |
| Complexity | 301.0 |
| SMILES | CCC(C1=CC=C(C=C1)O)C(CC)C(C)C2=CC=C(C=C2)O |
| InChIKey | DUTFBSAKKUNBAL-UHFFFAOYSA-N |
Product Description
Applications: Benzestrol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzestrol (CAS 85-95-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Benzestrol (CAS 85-95-0) has the molecular formula C20H26O2 and a molecular weight of 298.19 g/mol. It is also known as Benzoestrol and Chemestrogen.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 298.19327 g/mol.
What are the applications of Benzestrol?
Benzestrol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzestrol (CAS 85-95-0) with custom...
Where can I buy Benzestrol?
You can request a quote for Benzestrol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzestrol?
Yes, CoreyChem provides custom synthesis services for Benzestrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.