Pseudostilbestrol
TL;DR: Pseudostilbestrol (CAS 39011-86-4) 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-[4-(4-hydroxyphenyl)hex-4-en-3-yl]phenol
Also Known As: Pseudostilbestrol, 3,4-bis(p-hydroxyphenyl)-2-hexene
| Molecular Formula | C18H20O2 |
|---|---|
| Molecular Weight | 268.15 g/mol |
| LogP | 5.3 |
| 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 | 307.0 |
Chemical Identifiers
| CAS Number | 39011-86-4 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)O)C(=CC)C2=CC=C(C=C2)O |
| InChIKey | CEHDRGBLVBQUPH-UHFFFAOYSA-N |
Product Overview
Pseudostilbestrol (CAS 39011-86-4), with molecular formula C18H20O2 and molecular weight 268.15 g/mol. IUPAC: 4-[4-(4-hydroxyphenyl)hex-4-en-3-yl]phenol.
Chemical Property Profile of Pseudostilbestrol
Property Insights of Pseudostilbestrol
The XLogP value of 5.3 indicates that Pseudostilbestrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Pseudostilbestrol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pseudostilbestrol 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 Pseudostilbestrol?
The CAS number of Pseudostilbestrol is 39011-86-4.
What is the molecular formula of Pseudostilbestrol?
The molecular formula of Pseudostilbestrol is C18H20O2.
What is the molecular weight of Pseudostilbestrol?
The molecular weight of Pseudostilbestrol is 268.15 g/mol.
Where can I buy Pseudostilbestrol?
You can request a quote for Pseudostilbestrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudostilbestrol?
Yes, KEHONG BIO provides custom synthesis services for Pseudostilbestrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.