己烯雌酚
TL;DR: 己烯雌酚 (CAS 6898-97-1) is a chemical compound with molecular formula C18H20O2 and molecular weight 268.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己烯雌酚
4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
Also Known As: diethylstilbestrol, Diethylstilbesterol, Stilbestrol;DES, cis-Des, Dietilestilbestrol
| Molecular Formula | C18H20O2 |
|---|---|
| Molecular Weight | 268.15 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.14633 |
| Heavy Atoms | 20 |
| Complexity | 286.0 |
| Melting Point | 170.5 °C |
| Solubility | 1.09e-02 g/L |
Chemical Identifiers
| CAS Number | 6898-97-1 |
|---|---|
| SMILES | CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O |
| InChIKey | RGLYKWWBQGJZGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己烯雌酚 (CAS 6898-97-1), with molecular formula C18H20O2 and molecular weight 268.15 g/mol. IUPAC: 4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol.
Chemical Property Profile of 己烯雌酚
Property Insights of 己烯雌酚
The XLogP value of 5.1 indicates that Diethylstilbesterol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 己烯雌酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethylstilbesterol 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 Diethylstilbesterol?
The CAS number of Diethylstilbesterol is 6898-97-1.
What is the molecular formula of Diethylstilbesterol?
The molecular formula of Diethylstilbesterol is C18H20O2.
What is the molecular weight of Diethylstilbesterol?
The molecular weight of Diethylstilbesterol is 268.15 g/mol.
Where can I buy Diethylstilbesterol?
You can request a quote for Diethylstilbesterol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethylstilbesterol?
Yes, KEHONG BIO provides custom synthesis services for Diethylstilbesterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.