Hancinol
TL;DR: Hancinol (CAS 108864-50-2) is a chemical compound with molecular formula C22H28O5 and molecular weight 372.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4R,5R,7S)-6-(3,4-dimethoxyphenyl)-4-hydroxy-3-methoxy-4,7-dimethyl-1-prop-2-enylbicyclo[3.2.1]oct-2-en-8-one
Also Known As: Hancinol, (1S,4R,5R,7S)-6-(3,4-dimethoxyphenyl)-4-hydroxy-3-methoxy-4,7-dimethyl-1-prop-2-enylbicyclo[3.2.1]oct-2-en-8-one, 1'-Allyl-7-(3,4-dimethoxyphenyl)-4'-hydroxy-5'-methoxy-8-methyl-2'-oxobicyclo(3.2.1)oct-5'-ene, Bicyclo(3.2.1)oct-2-en-8-one, 6-(3,4-dimethoxyphenyl)-4-hydroxy-3-methoxy-4,7-dimethyl-1-(2-propenyl)-, (4-endo,6-exo,7-endo)-(+)-, (1R,2R,5S,6S)-7-(3,4-dimethoxyphenyl)-2-hydroxy-3-methoxy-2,6-dimethyl-5-prop-2-enylbicyclo[3.2.1]oct-3-en-8-one
| Molecular Formula | C22H28O5 |
|---|---|
| Molecular Weight | 372.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.19366 |
| Heavy Atoms | 27 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 108864-50-2 |
|---|---|
| SMILES | C[C@H]1C([C@H]2C(=O)[C@@]1(C=C([C@]2(C)O)OC)CC=C)C3=CC(=C(C=C3)OC)OC |
| InChIKey | JBYGAWPYVWTNRG-KTHGADAFSA-N |
Product Overview
Hancinol (CAS 108864-50-2), with molecular formula C22H28O5 and molecular weight 372.19 g/mol. IUPAC: (1S,4R,5R,7S)-6-(3,4-dimethoxyphenyl)-4-hydroxy-3-methoxy-4,7-dimethyl-1-prop-2-enylbicyclo[3.2.1]oct-2-en-8-one.
Chemical Property Profile of Hancinol
Property Insights of Hancinol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hancinol. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hancinol. Following Lipinski's Rule of Five, Hancinol has 1 hydrogen bond donor(s) and 5 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 Hancinol?
The CAS number of Hancinol is 108864-50-2.
What is the molecular formula of Hancinol?
The molecular formula of Hancinol is C22H28O5.
What is the molecular weight of Hancinol?
The molecular weight of Hancinol is 372.19 g/mol.
Where can I buy Hancinol?
You can request a quote for Hancinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hancinol?
Yes, KEHONG BIO provides custom synthesis services for Hancinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.