堆心菊素
TL;DR: 堆心菊素 (CAS 6754-13-8) 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.
堆心菊素
(3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione
Also Known As: HELENALIN, Helenalin A, NF-kappaB inhibitor, alpha-Terthienylmethanol, HELENALIN [MI]
| Molecular Formula | C15H18O4 |
|---|---|
| Molecular Weight | 262.12 g/mol |
| LogP | 1.4 |
| 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 | 506.0 |
| Melting Point | 167-168 °C |
| Solubility | SLIGHTLY SOL IN WATER; SOL IN ALCOHOL, CHLOROFORM, HOT BENZENE |
Chemical Identifiers
| CAS Number | 6754-13-8 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)O)C(=C)C(=O)O2 |
| InChIKey | ZVLOPMNVFLSSAA-XEPQRQSNSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
堆心菊素 (CAS 6754-13-8), with molecular formula C15H18O4 and molecular weight 262.12 g/mol. IUPAC: (3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione.
Chemical Property Profile of 堆心菊素
Property Insights of 堆心菊素
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 堆心菊素. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 堆心菊素. Following Lipinski's Rule of Five, 堆心菊素 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 堆心菊素?
The CAS number of 堆心菊素 is 6754-13-8.
What is the molecular formula of 堆心菊素?
The molecular formula of 堆心菊素 is C15H18O4.
What is the molecular weight of 堆心菊素?
The molecular weight of 堆心菊素 is 262.12 g/mol.
Where can I buy 堆心菊素?
You can request a quote for 堆心菊素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 堆心菊素?
Yes, KEHONG BIO provides custom synthesis services for 堆心菊素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.