山道年
TL;DR: 山道年 (CAS 481-06-1) 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.
山道年
3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
Also Known As: santonin, alpha-Santonin, a-Santonin, Santonic anhydride, beta-Santonin
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 2.3 |
| 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 | 500.0 |
Chemical Identifiers
| CAS Number | 481-06-1 |
|---|---|
| SMILES | CC1C2CCC3(C=CC(=O)C(=C3C2OC1=O)C)C |
| InChIKey | XJHDMGJURBVLLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
山道年 (CAS 481-06-1), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: 3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione.
Chemical Property Profile of 山道年
Property Insights of 山道年
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 山道年. With a topological polar surface area (TPSA) of 43.4 Ų, 山道年 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 山道年 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 山道年?
The CAS number of 山道年 is 481-06-1.
What is the molecular formula of 山道年?
The molecular formula of 山道年 is C15H18O3.
What is the molecular weight of 山道年?
The molecular weight of 山道年 is 246.13 g/mol.
Where can I buy 山道年?
You can request a quote for 山道年 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 山道年?
Yes, KEHONG BIO provides custom synthesis services for 山道年 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.