Isotenulin
TL;DR: Isotenulin (CAS 10092-04-3) is a chemical compound with molecular formula C17H22O5 and molecular weight 306.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3aS,5R,8aR,9R,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate
Also Known As: Isotenulin, Homohalichondrin B, KST-1A0340, (3r,3ar,4r,4ar,8r,9as)-3,4a,8-trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate, [(1R,3aS,5R,8aR,9R,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate
| Molecular Formula | C17H22O5 |
|---|---|
| Molecular Weight | 306.15 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.14673 |
| Heavy Atoms | 22 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 10092-04-3 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]([C@H](C(=O)O2)C)[C@H]([C@]3(C1C=CC3=O)C)OC(=O)C |
| InChIKey | NEIIKBWBBCJSQU-DGIONXRUSA-N |
Product Overview
Isotenulin (CAS 10092-04-3), with molecular formula C17H22O5 and molecular weight 306.15 g/mol. IUPAC: [(1R,3aS,5R,8aR,9R,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate.
Chemical Property Profile of Isotenulin
Property Insights of Isotenulin
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isotenulin. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Isotenulin. Following Lipinski's Rule of Five, Isotenulin has 0 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 Isotenulin?
The CAS number of Isotenulin is 10092-04-3.
What is the molecular formula of Isotenulin?
The molecular formula of Isotenulin is C17H22O5.
What is the molecular weight of Isotenulin?
The molecular weight of Isotenulin is 306.15 g/mol.
Where can I buy Isotenulin?
You can request a quote for Isotenulin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isotenulin?
Yes, KEHONG BIO provides custom synthesis services for Isotenulin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.