hexestrol
TL;DR: hexestrol (CAS 84-16-2) is a chemical compound with molecular formula C18H22O2 and molecular weight 270.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3S,4S)-4-(4-hydroxyphenyl)hexan-3-yl]phenol
Also Known As: hexestrol, Mesohexestrol, Cycloestrol, Hormoestrol, Syntrogene
| Molecular Formula | C18H22O2 |
|---|---|
| Molecular Weight | 270.16 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.162 |
| Heavy Atoms | 20 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 84-16-2 |
|---|---|
| SMILES | CC[C@H](C1=CC=C(C=C1)O)[C@H](CC)C2=CC=C(C=C2)O |
| InChIKey | PBBGSZCBWVPOOL-QZTJIDSGSA-N |
Product Overview
hexestrol (CAS 84-16-2), with molecular formula C18H22O2 and molecular weight 270.16 g/mol. IUPAC: 4-[(3S,4S)-4-(4-hydroxyphenyl)hexan-3-yl]phenol.
Chemical Property Profile of hexestrol
Property Insights of hexestrol
The XLogP value of 5.2 indicates that hexestrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, hexestrol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, hexestrol 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 hexestrol?
The CAS number of hexestrol is 84-16-2.
What is the molecular formula of hexestrol?
The molecular formula of hexestrol is C18H22O2.
What is the molecular weight of hexestrol?
The molecular weight of hexestrol is 270.16 g/mol.
Where can I buy hexestrol?
You can request a quote for hexestrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for hexestrol?
Yes, KEHONG BIO provides custom synthesis services for hexestrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.