Inulicin
TL;DR: Inulicin (CAS 33627-41-7) is a chemical compound with molecular formula C17H24O5 and molecular weight 308.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-hydroxy-5,7-dimethyl-3-methylidene-2-oxo-4,5,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl)propyl acetate
Also Known As: Inulicin, 1-O-Acetylbritannilactone, Britannilactone 1-O-acetate, 5-18-03-00024 (Beilstein Handbook Reference), AH-034/20656026
| Molecular Formula | C17H24O5 |
|---|---|
| Molecular Weight | 308.16 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.16238 |
| Heavy Atoms | 22 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 33627-41-7 |
|---|---|
| SMILES | CC1C(C2C(CC(=C1CCCOC(=O)C)C)OC(=O)C2=C)O |
| InChIKey | QKVABRCMWRXFAF-UHFFFAOYSA-N |
Product Overview
Inulicin (CAS 33627-41-7), with molecular formula C17H24O5 and molecular weight 308.16 g/mol. IUPAC: 3-(4-hydroxy-5,7-dimethyl-3-methylidene-2-oxo-4,5,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl)propyl acetate.
Chemical Property Profile of Inulicin
Property Insights of Inulicin
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Inulicin. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Inulicin. Following Lipinski's Rule of Five, Inulicin 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 Inulicin?
The CAS number of Inulicin is 33627-41-7.
What is the molecular formula of Inulicin?
The molecular formula of Inulicin is C17H24O5.
What is the molecular weight of Inulicin?
The molecular weight of Inulicin is 308.16 g/mol.
Where can I buy Inulicin?
You can request a quote for Inulicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Inulicin?
Yes, KEHONG BIO provides custom synthesis services for Inulicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.