Kihadanin B
TL;DR: Kihadanin B (CAS 73793-68-7) is a chemical compound with molecular formula C26H30O9 and molecular weight 486.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,4S,7R,8S,11R,12R,18R)-7-(2-hydroxy-5-oxo-2H-furan-4-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione
Also Known As: Kihadanin B, Khadanin B, kihadinin B, (1R,2R,4S,7R,8S,11R,12R,18R)-7-(2-hydroxy-5-oxo-2H-furan-4-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione, 21,23-Dihydro-21-oxo-23-hydroxyobacunoic acid epsilon-lactone
| Molecular Formula | C26H30O9 |
|---|---|
| Molecular Weight | 486.19 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 486.189 |
| Heavy Atoms | 35 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 73793-68-7 |
|---|---|
| SMILES | C[C@@]12CC[C@@H]3[C@]4(C=CC(=O)OC([C@@H]4CC(=O)[C@]3([C@@]15[C@H](O5)C(=O)O[C@H]2C6=CC(OC6=O)O)C)(C)C)C |
| InChIKey | LUSHRJRLUBDDTB-KNQGVANASA-N |
Product Overview
Kihadanin B (CAS 73793-68-7), with molecular formula C26H30O9 and molecular weight 486.19 g/mol. IUPAC: (1R,2R,4S,7R,8S,11R,12R,18R)-7-(2-hydroxy-5-oxo-2H-furan-4-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione.
Chemical Property Profile of Kihadanin B
Property Insights of Kihadanin B
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Kihadanin B. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Kihadanin B. Following Lipinski's Rule of Five, Kihadanin B has 1 hydrogen bond donor(s) and 9 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 Kihadanin B?
The CAS number of Kihadanin B is 73793-68-7.
What is the molecular formula of Kihadanin B?
The molecular formula of Kihadanin B is C26H30O9.
What is the molecular weight of Kihadanin B?
The molecular weight of Kihadanin B is 486.19 g/mol.
Where can I buy Kihadanin B?
You can request a quote for Kihadanin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kihadanin B?
Yes, KEHONG BIO provides custom synthesis services for Kihadanin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.