3',4'-Hexestrol quinone
TL;DR: 3',4'-Hexestrol quinone (CAS 100551-65-3) 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-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]cyclohexa-3,5-diene-1,2-dione
Also Known As: 3',4'-Hexestrol quinone, 3/',4/'-Hexestrol quinone, 4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]cyclohexa-3,5-diene-1,2-dione, 3,5-Cyclohexadiene, 1,2-dione, 4-(1-ethyl-2-(4-hydroxyphenyl)butyl)-, (R*,S*)-, 4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]cyclohexa-3,5-diene
| Molecular Formula | C18H20O3 |
|---|---|
| Molecular Weight | 284.14 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.14124 |
| Heavy Atoms | 21 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 100551-65-3 |
|---|---|
| SMILES | CC[C@H](C1=CC=C(C=C1)O)[C@@H](CC)C2=CC(=O)C(=O)C=C2 |
| InChIKey | WHMZTZNMIAVTOD-CVEARBPZSA-N |
Product Overview
3',4'-Hexestrol quinone (CAS 100551-65-3), with molecular formula C18H20O3 and molecular weight 284.14 g/mol. IUPAC: 4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]cyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of 3',4'-Hexestrol quinone
Property Insights of 3',4'-Hexestrol quinone
The XLogP value of 3.5 indicates that 3',4'-Hexestrol quinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 3',4'-Hexestrol quinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3',4'-Hexestrol quinone has 1 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 3',4'-Hexestrol quinone?
The CAS number of 3',4'-Hexestrol quinone is 100551-65-3.
What is the molecular formula of 3',4'-Hexestrol quinone?
The molecular formula of 3',4'-Hexestrol quinone is C18H20O3.
What is the molecular weight of 3',4'-Hexestrol quinone?
The molecular weight of 3',4'-Hexestrol quinone is 284.14 g/mol.
Where can I buy 3',4'-Hexestrol quinone?
You can request a quote for 3',4'-Hexestrol quinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3',4'-Hexestrol quinone?
Yes, KEHONG BIO provides custom synthesis services for 3',4'-Hexestrol quinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.