散沫草素
TL;DR: 散沫草素 (CAS 517-88-4) is a chemical compound with molecular formula C16H16O5 and molecular weight 288.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
散沫草素
5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione
Also Known As: Alkannin, Anchusin, Alkanna Red, Anchusa acid, (-)-Alkannin
| Molecular Formula | C16H16O5 |
|---|---|
| Molecular Weight | 288.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.09976 |
| Heavy Atoms | 21 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 517-88-4 |
|---|---|
| SMILES | CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C |
| InChIKey | NEZONWMXZKDMKF-JTQLQIEISA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
散沫草素 (CAS 517-88-4), with molecular formula C16H16O5 and molecular weight 288.10 g/mol. IUPAC: 5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione.
Chemical Property Profile of 散沫草素
Property Insights of 散沫草素
The XLogP value of 3.0 indicates that 散沫草素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 散沫草素. Following Lipinski's Rule of Five, 散沫草素 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 散沫草素?
The CAS number of 散沫草素 is 517-88-4.
What is the molecular formula of 散沫草素?
The molecular formula of 散沫草素 is C16H16O5.
What is the molecular weight of 散沫草素?
The molecular weight of 散沫草素 is 288.10 g/mol.
Where can I buy 散沫草素?
You can request a quote for 散沫草素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 散沫草素?
Yes, KEHONG BIO provides custom synthesis services for 散沫草素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.