Diethylstilbestrol epoxide
TL;DR: Diethylstilbestrol epoxide (CAS 6052-82-0) is a chemical compound with molecular formula C18H20O3 and molecular weight 284.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,3-diethyl-3-(4-hydroxyphenyl)oxiran-2-yl]phenol
Also Known As: Diethylstilbestrol epoxide, DES-alpha,beta-oxide, DES 3,4-oxide, diethylstilbestrol-oxide, Diethylstilboestrol-3,4-oxide
| Molecular Formula | C18H20O3 |
|---|---|
| Molecular Weight | 284.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.14124 |
| Heavy Atoms | 21 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 6052-82-0 |
|---|---|
| SMILES | CCC1(C(O1)(CC)C2=CC=C(C=C2)O)C3=CC=C(C=C3)O |
| InChIKey | XOZFXKUFVFLGAB-UHFFFAOYSA-N |
Product Overview
Diethylstilbestrol epoxide (CAS 6052-82-0), with molecular formula C18H20O3 and molecular weight 284.14 g/mol. IUPAC: 4-[2,3-diethyl-3-(4-hydroxyphenyl)oxiran-2-yl]phenol.
Chemical Property Profile of Diethylstilbestrol epoxide
Property Insights of Diethylstilbestrol epoxide
The XLogP value of 3.6 indicates that Diethylstilbestrol epoxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, Diethylstilbestrol epoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethylstilbestrol epoxide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethylstilbestrol epoxide?
The CAS number of Diethylstilbestrol epoxide is 6052-82-0.
What is the molecular formula of Diethylstilbestrol epoxide?
The molecular formula of Diethylstilbestrol epoxide is C18H20O3.
What is the molecular weight of Diethylstilbestrol epoxide?
The molecular weight of Diethylstilbestrol epoxide is 284.14 g/mol.
Where can I buy Diethylstilbestrol epoxide?
You can request a quote for Diethylstilbestrol epoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethylstilbestrol epoxide?
Yes, KEHONG BIO provides custom synthesis services for Diethylstilbestrol epoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.