cis-Diethylstilbestrol
TL;DR: cis-Diethylstilbestrol (CAS 4569-86-2) 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.
4-[(Z)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
Also Known As: cis-Diethylstilbestrol, cis-Diethyl Stilbestrol, diethylstilbestrol, cis-Des, Diethylsafranine
| 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 |
Chemical Identifiers
| CAS Number | 4569-86-2 |
|---|---|
| SMILES | CC/C(=C(\CC)/C1=CC=C(C=C1)O)/C2=CC=C(C=C2)O |
| InChIKey | RGLYKWWBQGJZGM-ZCXUNETKSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
cis-Diethylstilbestrol (CAS 4569-86-2), with molecular formula C18H20O2 and molecular weight 268.15 g/mol. IUPAC: 4-[(Z)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol.
Chemical Property Profile of cis-Diethylstilbestrol
Property Insights of cis-Diethylstilbestrol
The XLogP value of 5.1 indicates that cis-Diethylstilbestrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, cis-Diethylstilbestrol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-Diethylstilbestrol 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 cis-Diethylstilbestrol?
The CAS number of cis-Diethylstilbestrol is 4569-86-2.
What is the molecular formula of cis-Diethylstilbestrol?
The molecular formula of cis-Diethylstilbestrol is C18H20O2.
What is the molecular weight of cis-Diethylstilbestrol?
The molecular weight of cis-Diethylstilbestrol is 268.15 g/mol.
Where can I buy cis-Diethylstilbestrol?
You can request a quote for cis-Diethylstilbestrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-Diethylstilbestrol?
Yes, KEHONG BIO provides custom synthesis services for cis-Diethylstilbestrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.