Diethylstilbestrol pinacolone
TL;DR: Diethylstilbestrol pinacolone (CAS 18922-13-9) 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.
4,4-bis(4-hydroxyphenyl)hexan-3-one
Also Known As: Diethylstilbestrol pinacolone, 4,4-bis(4-hydroxyphenyl)hexan-3-one, diethylstilbesterol pinacolone, 3-Hexanone, 4,4-bis(4-hydroxyphenyl)-, 4,4-Bis(p-hydroxyphenyl)-3-hexanone
| Molecular Formula | C18H20O3 |
|---|---|
| Molecular Weight | 284.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.14124 |
| Heavy Atoms | 21 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 18922-13-9 |
|---|---|
| SMILES | CCC(=O)C(CC)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O |
| InChIKey | VXQMNZNWFJLHAO-UHFFFAOYSA-N |
Product Overview
Diethylstilbestrol pinacolone (CAS 18922-13-9), with molecular formula C18H20O3 and molecular weight 284.14 g/mol. IUPAC: 4,4-bis(4-hydroxyphenyl)hexan-3-one.
Chemical Property Profile of Diethylstilbestrol pinacolone
Property Insights of Diethylstilbestrol pinacolone
The XLogP value of 3.7 indicates that Diethylstilbestrol pinacolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Diethylstilbestrol pinacolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethylstilbestrol pinacolone 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 pinacolone?
The CAS number of Diethylstilbestrol pinacolone is 18922-13-9.
What is the molecular formula of Diethylstilbestrol pinacolone?
The molecular formula of Diethylstilbestrol pinacolone is C18H20O3.
What is the molecular weight of Diethylstilbestrol pinacolone?
The molecular weight of Diethylstilbestrol pinacolone is 284.14 g/mol.
Where can I buy Diethylstilbestrol pinacolone?
You can request a quote for Diethylstilbestrol pinacolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethylstilbestrol pinacolone?
Yes, KEHONG BIO provides custom synthesis services for Diethylstilbestrol pinacolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.