![3,5a,9-三甲基-3a,5,5a,9b-四氢萘并[1,2-b]呋喃-2,8(3H,4H)-二酮 structure](/static/products/4810/481-06-1.webp)
3,5a,9-三甲基-3a,5,5a,9b-四氢萘并[1,2-b]呋喃-2,8(3H,4H)-二酮
TL;DR: 3,5a,9-三甲基-3a,5,5a,9b-四氢萘并[1,2-b]呋喃-2,8(3H,4H)-二酮 (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.
3,5a,9-三甲基-3a,5,5a,9b-四氢萘并[1,2-b]呋喃-2,8(3H,4H)-二酮
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
3,5a,9-三甲基-3a,5,5a,9b-四氢萘并[1,2-b]呋喃-2,8(3H,4H)-二酮 (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 3,5a,9-三甲基-3a,5,5a,9b-四氢萘并[1,2-b]呋喃-2,8(3H,4H)-二酮
Property Insights of 3,5a,9-三甲基-3a,5,5a,9b-四氢萘并[1,2-b]呋喃-2,8(3H,4H)-二酮
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5a,9-三甲基-3a,5,5a,9b-四氢萘并[1,2-b]呋喃-2,8(3H,4H)-二酮. With a topological polar surface area (TPSA) of 43.4 Ų, 3,5a,9-三甲基-3a,5,5a,9b-四氢萘并[1,2-b]呋喃-2,8(3H,4H)-二酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5a,9-三甲基-3a,5,5a,9b-四氢萘并[1,2-b]呋喃-2,8(3H,4H)-二酮 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 3,5a,9-三甲基-3a,5,5a,9b-四氢萘并[1,2-b]呋喃-2,8(3H,4H)-二酮?
The CAS number of 3,5a,9-三甲基-3a,5,5a,9b-四氢萘并[1,2-b]呋喃-2,8(3H,4H)-二酮 is 481-06-1.
What is the molecular formula of 3,5a,9-三甲基-3a,5,5a,9b-四氢萘并[1,2-b]呋喃-2,8(3H,4H)-二酮?
The molecular formula of 3,5a,9-三甲基-3a,5,5a,9b-四氢萘并[1,2-b]呋喃-2,8(3H,4H)-二酮 is C15H18O3.
What is the molecular weight of 3,5a,9-三甲基-3a,5,5a,9b-四氢萘并[1,2-b]呋喃-2,8(3H,4H)-二酮?
The molecular weight of 3,5a,9-三甲基-3a,5,5a,9b-四氢萘并[1,2-b]呋喃-2,8(3H,4H)-二酮 is 246.13 g/mol.
Where can I buy 3,5a,9-三甲基-3a,5,5a,9b-四氢萘并[1,2-b]呋喃-2,8(3H,4H)-二酮?
You can request a quote for 3,5a,9-三甲基-3a,5,5a,9b-四氢萘并[1,2-b]呋喃-2,8(3H,4H)-二酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5a,9-三甲基-3a,5,5a,9b-四氢萘并[1,2-b]呋喃-2,8(3H,4H)-二酮?
Yes, KEHONG BIO provides custom synthesis services for 3,5a,9-三甲基-3a,5,5a,9b-四氢萘并[1,2-b]呋喃-2,8(3H,4H)-二酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.