穿心莲内酯
TL;DR: 穿心莲内酯 (CAS 55086-31-2) is a chemical compound with molecular formula C20H30O5 and molecular weight 350.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
穿心莲内酯
4-hydroxy-3-[2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]oxolan-2-one
Also Known As: Andrographolide, Andropanolide, Andrographis, NCI60_003675, 4-hydroxy-3-[2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]ethylidene]tetrahydrofuran-2-one
| Molecular Formula | C20H30O5 |
|---|---|
| Molecular Weight | 350.21 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.20932 |
| Heavy Atoms | 25 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 55086-31-2 |
|---|---|
| SMILES | CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)O |
| InChIKey | BOJKULTULYSRAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
穿心莲内酯 (CAS 55086-31-2), with molecular formula C20H30O5 and molecular weight 350.21 g/mol. IUPAC: 4-hydroxy-3-[2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]oxolan-2-one.
Chemical Property Profile of 穿心莲内酯
Property Insights of 穿心莲内酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 穿心莲内酯. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 穿心莲内酯. Following Lipinski's Rule of Five, 穿心莲内酯 has 3 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 穿心莲内酯?
The CAS number of 穿心莲内酯 is 55086-31-2.
What is the molecular formula of 穿心莲内酯?
The molecular formula of 穿心莲内酯 is C20H30O5.
What is the molecular weight of 穿心莲内酯?
The molecular weight of 穿心莲内酯 is 350.21 g/mol.
Where can I buy 穿心莲内酯?
You can request a quote for 穿心莲内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 穿心莲内酯?
Yes, KEHONG BIO provides custom synthesis services for 穿心莲内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.