3-Oxo-6betaH-eudesm-1,4,11-trien-6,13-olide
TL;DR: 3-Oxo-6betaH-eudesm-1,4,11-trien-6,13-olide (CAS 66726-11-2) is a chemical compound with molecular formula C15H16O3 and molecular weight 244.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,5aS,9bS)-5a,9-dimethyl-3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-2,8-dione
Also Known As: 11,13-Dehydrosantonin, 3-Oxo-6betaH-eudesm-1,4,11-trien-6,13-olide, J1.333.920A, (3aS,5aS,9bS)-5a,9-dimethyl-3-methylene-3a,4,5,9b-tetrahydrobenzo[g]benzofuran-2,8-dione, 5a,9-Dimethyl-3-methylidene-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
| Molecular Formula | C15H16O3 |
|---|---|
| Molecular Weight | 244.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 244.10994 |
| Heavy Atoms | 18 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 66726-11-2 |
|---|---|
| SMILES | CC1=C2[C@@H]3[C@@H](CC[C@]2(C=CC1=O)C)C(=C)C(=O)O3 |
| InChIKey | SOEFILJAGJAINE-XEGUGMAKSA-N |
Product Overview
3-Oxo-6betaH-eudesm-1,4,11-trien-6,13-olide (CAS 66726-11-2), with molecular formula C15H16O3 and molecular weight 244.11 g/mol. IUPAC: (3aS,5aS,9bS)-5a,9-dimethyl-3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-2,8-dione.
Chemical Property Profile of 3-Oxo-6betaH-eudesm-1,4,11-trien-6,13-olide
Property Insights of 3-Oxo-6betaH-eudesm-1,4,11-trien-6,13-olide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-6betaH-eudesm-1,4,11-trien-6,13-olide. With a topological polar surface area (TPSA) of 43.4 Ų, 3-Oxo-6betaH-eudesm-1,4,11-trien-6,13-olide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-6betaH-eudesm-1,4,11-trien-6,13-olide 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-Oxo-6betaH-eudesm-1,4,11-trien-6,13-olide?
The CAS number of 3-Oxo-6betaH-eudesm-1,4,11-trien-6,13-olide is 66726-11-2.
What is the molecular formula of 3-Oxo-6betaH-eudesm-1,4,11-trien-6,13-olide?
The molecular formula of 3-Oxo-6betaH-eudesm-1,4,11-trien-6,13-olide is C15H16O3.
What is the molecular weight of 3-Oxo-6betaH-eudesm-1,4,11-trien-6,13-olide?
The molecular weight of 3-Oxo-6betaH-eudesm-1,4,11-trien-6,13-olide is 244.11 g/mol.
Where can I buy 3-Oxo-6betaH-eudesm-1,4,11-trien-6,13-olide?
You can request a quote for 3-Oxo-6betaH-eudesm-1,4,11-trien-6,13-olide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-6betaH-eudesm-1,4,11-trien-6,13-olide?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-6betaH-eudesm-1,4,11-trien-6,13-olide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.