Diethylstilbestrol-3,4-oxide
TL;DR: Diethylstilbestrol-3,4-oxide (CAS 6953-45-3) is a chemical compound with molecular formula C22H28O3 and molecular weight 340.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(4-ethoxyphenyl)-2,3-diethyloxirane
Also Known As: Des-3,4-oxide, Diethylstilbestrol-3,4-oxide, Oxirane, 2,3-bis(4-ethoxyphenyl)-2,3-diethyl-, 2,3-bis(4-ethoxyphenyl)-2,3-diethyloxirane, RefChem:133534
| Molecular Formula | C22H28O3 |
|---|---|
| Molecular Weight | 340.20 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 31.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 340.20386 |
| Heavy Atoms | 25 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 6953-45-3 |
|---|---|
| SMILES | CCC1(C(O1)(CC)C2=CC=C(C=C2)OCC)C3=CC=C(C=C3)OCC |
| InChIKey | DNDBDWLTKIOKPU-UHFFFAOYSA-N |
Product Overview
Diethylstilbestrol-3,4-oxide (CAS 6953-45-3), with molecular formula C22H28O3 and molecular weight 340.20 g/mol. IUPAC: 2,3-bis(4-ethoxyphenyl)-2,3-diethyloxirane.
Chemical Property Profile of Diethylstilbestrol-3,4-oxide
Property Insights of Diethylstilbestrol-3,4-oxide
The XLogP value of 5.0 indicates that Diethylstilbestrol-3,4-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.0 Ų, Diethylstilbestrol-3,4-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethylstilbestrol-3,4-oxide has 0 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-3,4-oxide?
The CAS number of Diethylstilbestrol-3,4-oxide is 6953-45-3.
What is the molecular formula of Diethylstilbestrol-3,4-oxide?
The molecular formula of Diethylstilbestrol-3,4-oxide is C22H28O3.
What is the molecular weight of Diethylstilbestrol-3,4-oxide?
The molecular weight of Diethylstilbestrol-3,4-oxide is 340.20 g/mol.
Where can I buy Diethylstilbestrol-3,4-oxide?
You can request a quote for Diethylstilbestrol-3,4-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethylstilbestrol-3,4-oxide?
Yes, KEHONG BIO provides custom synthesis services for Diethylstilbestrol-3,4-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.