Glabellin
TL;DR: Glabellin (CAS 85993-31-3) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,9-dimethyl-3-methylidene-4,6a,7,9,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2,8-dione
Also Known As: Glabellin, 6,9-dimethyl-3-methylidene-4,6a,7,9,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2,8-dione, 6,9-dimethyl-3-methylidene-4,6a,7,9,9a,9b-hexahydro-3aH-azuleno(4,5-b)furan-2,8-dione, 6,9-Dimethyl-3-methylene-3a,6a,7,9,9a,9b-hexahydroazuleno[4,5-b]furan-2,8(3H,4H)-dione #, RefChem:143269
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 85993-31-3 |
|---|---|
| SMILES | CC1C2C(CC1=O)C(=CCC3C2OC(=O)C3=C)C |
| InChIKey | VKILWIKFZQHLPU-UHFFFAOYSA-N |
Product Overview
Glabellin (CAS 85993-31-3), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: 6,9-dimethyl-3-methylidene-4,6a,7,9,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2,8-dione.
Chemical Property Profile of Glabellin
Property Insights of Glabellin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glabellin. With a topological polar surface area (TPSA) of 43.4 Ų, Glabellin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Glabellin has 0 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 Glabellin?
The CAS number of Glabellin is 85993-31-3.
What is the molecular formula of Glabellin?
The molecular formula of Glabellin is C15H18O3.
What is the molecular weight of Glabellin?
The molecular weight of Glabellin is 246.13 g/mol.
Where can I buy Glabellin?
You can request a quote for Glabellin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glabellin?
Yes, KEHONG BIO provides custom synthesis services for Glabellin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.