3'-Hydroxyhexestrol
TL;DR: 3'-Hydroxyhexestrol (CAS 87004-89-5) is a chemical compound with molecular formula C18H22O3 and molecular weight 286.16 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]benzene-1,2-diol
Also Known As: 3'-Hydroxyhexestrol, (1R,1 S)-4-Hydroxyhexestrol, 1,2-benzenediol,4-(1-ethyl-2-, -, 1,2-Benzenediol,4-(1-ethyl-2- -, -, 4-[(3r,4s)-4-(4-hydroxyphenyl)hexan-3-yl]benzene-1,2-diol
| Molecular Formula | C18H22O3 |
|---|---|
| Molecular Weight | 286.16 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.1569 |
| Heavy Atoms | 21 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 87004-89-5 |
|---|---|
| SMILES | CC[C@H](C1=CC=C(C=C1)O)[C@@H](CC)C2=CC(=C(C=C2)O)O |
| InChIKey | KWYPVFQNTRXTSH-CVEARBPZSA-N |
Product Overview
3'-Hydroxyhexestrol (CAS 87004-89-5), with molecular formula C18H22O3 and molecular weight 286.16 g/mol. IUPAC: 4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]benzene-1,2-diol.
Chemical Property Profile of 3'-Hydroxyhexestrol
Property Insights of 3'-Hydroxyhexestrol
The XLogP value of 4.8 indicates that 3'-Hydroxyhexestrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Hydroxyhexestrol. Following Lipinski's Rule of Five, 3'-Hydroxyhexestrol has 3 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'-Hydroxyhexestrol?
The CAS number of 3'-Hydroxyhexestrol is 87004-89-5.
What is the molecular formula of 3'-Hydroxyhexestrol?
The molecular formula of 3'-Hydroxyhexestrol is C18H22O3.
What is the molecular weight of 3'-Hydroxyhexestrol?
The molecular weight of 3'-Hydroxyhexestrol is 286.16 g/mol.
Where can I buy 3'-Hydroxyhexestrol?
You can request a quote for 3'-Hydroxyhexestrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Hydroxyhexestrol?
Yes, KEHONG BIO provides custom synthesis services for 3'-Hydroxyhexestrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.