Triptonolide
TL;DR: Triptonolide (CAS 79548-61-1) is a chemical compound with molecular formula C20H22O4 and molecular weight 326.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3bS,9bR)-6-hydroxy-9b-methyl-7-propan-2-yl-3b,4,10,11-tetrahydro-3H-naphtho[2,1-e][2]benzofuran-1,5-dione
Also Known As: Triptonolide, (3bS,9bR)-6-hydroxy-9b-methyl-7-propan-2-yl-3b,4,10,11-tetrahydro-3H-naphtho[2,1-e][2]benzofuran-1,5-dione, Phenanthro(1,2-c)furan-1,5-dione, 3,3b,4,9b,10,11-hexahydro-6-hydroxy-9b-methyl-7-(1-methylethyl)-, trans-, (3bR,9bS)-6-hydroxy-7-isopropyl-9b-methyl-3b,4,10,11-tetrahydrophenanthro[1,2-c]furan-1,5(3H,9bH)-dione, (3bR,9bS)-6-hydroxy-9b-methyl-7-(propan-2-yl)-3,3b,4,9b,10,11-hexahydrophenanthro[1,2-c]furan-1,5-dione
| Molecular Formula | C20H22O4 |
|---|---|
| Molecular Weight | 326.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.1518 |
| Heavy Atoms | 24 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 79548-61-1 |
|---|---|
| SMILES | CC(C)C1=C(C2=C(C=C1)[C@@]3(CCC4=C([C@H]3CC2=O)COC4=O)C)O |
| InChIKey | MHZZHUMKOAYLPH-QRWLVFNGSA-N |
Product Overview
Triptonolide (CAS 79548-61-1), with molecular formula C20H22O4 and molecular weight 326.15 g/mol. IUPAC: (3bS,9bR)-6-hydroxy-9b-methyl-7-propan-2-yl-3b,4,10,11-tetrahydro-3H-naphtho[2,1-e][2]benzofuran-1,5-dione.
Chemical Property Profile of Triptonolide
Property Insights of Triptonolide
The XLogP value of 3.5 indicates that Triptonolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Triptonolide. Following Lipinski's Rule of Five, Triptonolide 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 Triptonolide?
The CAS number of Triptonolide is 79548-61-1.
What is the molecular formula of Triptonolide?
The molecular formula of Triptonolide is C20H22O4.
What is the molecular weight of Triptonolide?
The molecular weight of Triptonolide is 326.15 g/mol.
Where can I buy Triptonolide?
You can request a quote for Triptonolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triptonolide?
Yes, KEHONG BIO provides custom synthesis services for Triptonolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.