Win 5589
TL;DR: Win 5589 (CAS 110054-13-2) is a chemical compound with molecular formula C14H21NO3 and molecular weight 251.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(cyclohexylamino)-1-hydroxyethyl]benzene-1,2-diol
Also Known As: Protocatechuyl alcohol, alpha-(cyclohexylaminomethyl)-, 4-[2-(cyclohexylamino)-1-hydroxyethyl]benzene-1,2-diol, 4-13-00-02934 (Beilstein Handbook Reference), alpha-((Cyclohexylamino)methyl)-3,4-dihydroxybenzyl alcohol, 1,2-Benzenediol,4-[2-(cyclohexylamino)-1-hydroxyethyl]-
| Molecular Formula | C14H21NO3 |
|---|---|
| Molecular Weight | 251.15 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.15215 |
| Heavy Atoms | 18 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 110054-13-2 |
|---|---|
| SMILES | C1CCC(CC1)NCC(C2=CC(=C(C=C2)O)O)O |
| InChIKey | JHEJWYODFKSDQF-UHFFFAOYSA-N |
Product Overview
Win 5589 (CAS 110054-13-2), with molecular formula C14H21NO3 and molecular weight 251.15 g/mol. IUPAC: 4-[2-(cyclohexylamino)-1-hydroxyethyl]benzene-1,2-diol.
Chemical Property Profile of Win 5589
Property Insights of Win 5589
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Win 5589. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Win 5589. Following Lipinski's Rule of Five, Win 5589 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 Win 5589?
The CAS number of Win 5589 is 110054-13-2.
What is the molecular formula of Win 5589?
The molecular formula of Win 5589 is C14H21NO3.
What is the molecular weight of Win 5589?
The molecular weight of Win 5589 is 251.15 g/mol.
Where can I buy Win 5589?
You can request a quote for Win 5589 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Win 5589?
Yes, KEHONG BIO provides custom synthesis services for Win 5589 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.