Grosheimin
TL;DR: Grosheimin (CAS 22489-66-3) is a chemical compound with molecular formula C15H18O4 and molecular weight 262.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-2,8-dione
Also Known As: Grosheimin, Grossheimin, Grosshemin, Grosheimine, NCI60_002463
| Molecular Formula | C15H18O4 |
|---|---|
| Molecular Weight | 262.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 262.1205 |
| Heavy Atoms | 19 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 22489-66-3 |
|---|---|
| SMILES | CC1C2C(CC1=O)C(=C)CC(C3C2OC(=O)C3=C)O |
| InChIKey | YGMIBVIKXJJQQJ-UHFFFAOYSA-N |
Product Overview
Grosheimin (CAS 22489-66-3), with molecular formula C15H18O4 and molecular weight 262.12 g/mol. IUPAC: 4-hydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-2,8-dione.
Chemical Property Profile of Grosheimin
Property Insights of Grosheimin
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Grosheimin. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Grosheimin. Following Lipinski's Rule of Five, Grosheimin has 1 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 Grosheimin?
The CAS number of Grosheimin is 22489-66-3.
What is the molecular formula of Grosheimin?
The molecular formula of Grosheimin is C15H18O4.
What is the molecular weight of Grosheimin?
The molecular weight of Grosheimin is 262.12 g/mol.
Where can I buy Grosheimin?
You can request a quote for Grosheimin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Grosheimin?
Yes, KEHONG BIO provides custom synthesis services for Grosheimin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.