3,3'-Dihydroxyhexestrol
TL;DR: 3,3'-Dihydroxyhexestrol (CAS 79199-51-2) is a chemical compound with molecular formula C18H22O4 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(3,4-dihydroxyphenyl)hexan-3-yl]benzene-1,2-diol
Also Known As: 3,3'-Dihydroxyhexestrol, 4,4'-(1,2-Diethylethylene)dipyrocatechol, 3',3''-DIHYDROXYHEXESTROL, 4,4'-hexane-3,4-diyldibenzene-1,2-diol, Pyrocatechol, 4,4'-(1,2-diethylethylene)di-
| Molecular Formula | C18H22O4 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.1518 |
| Heavy Atoms | 22 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 79199-51-2 |
|---|---|
| SMILES | CCC(C1=CC(=C(C=C1)O)O)C(CC)C2=CC(=C(C=C2)O)O |
| InChIKey | SQJDIVYCVVFMOZ-UHFFFAOYSA-N |
Product Overview
3,3'-Dihydroxyhexestrol (CAS 79199-51-2), with molecular formula C18H22O4 and molecular weight 302.15 g/mol. IUPAC: 4-[4-(3,4-dihydroxyphenyl)hexan-3-yl]benzene-1,2-diol.
Chemical Property Profile of 3,3'-Dihydroxyhexestrol
Property Insights of 3,3'-Dihydroxyhexestrol
The XLogP value of 4.5 indicates that 3,3'-Dihydroxyhexestrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-Dihydroxyhexestrol. Following Lipinski's Rule of Five, 3,3'-Dihydroxyhexestrol has 4 hydrogen bond donor(s) and 4 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 3,3'-Dihydroxyhexestrol?
The CAS number of 3,3'-Dihydroxyhexestrol is 79199-51-2.
What is the molecular formula of 3,3'-Dihydroxyhexestrol?
The molecular formula of 3,3'-Dihydroxyhexestrol is C18H22O4.
What is the molecular weight of 3,3'-Dihydroxyhexestrol?
The molecular weight of 3,3'-Dihydroxyhexestrol is 302.15 g/mol.
Where can I buy 3,3'-Dihydroxyhexestrol?
You can request a quote for 3,3'-Dihydroxyhexestrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Dihydroxyhexestrol?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Dihydroxyhexestrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.