Kraussianin (B678021K218
TL;DR: Kraussianin (B678021K218 (CAS 98716-95-1) is a chemical compound with molecular formula C37H50O10 and molecular weight 654.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[10,11,22-trihydroxy-9-(hydroxymethyl)-2,13,15-trimethyl-4-prop-1-en-2-yl-8,24,26,27-tetraoxaheptacyclo[12.10.1.14,23.15,23.01,6.07,9.011,25]heptacosan-12-yl] benzoate
Also Known As: Kraussianin, Polynitroxin, Gnidimacrin, 18-de(benzoyloxy)-, KRAUSSIANIN (B678021K218, B678021K218
| Molecular Formula | C37H50O10 |
|---|---|
| Molecular Weight | 654.34 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 654.3404 |
| Heavy Atoms | 47 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 98716-95-1 |
|---|---|
| SMILES | CC1CCCCCCC(C23OC4C5C6C(O6)(C(C7(C(C1C(C7OC(=O)C8=CC=CC=C8)C)C5(O2)C(CC4(O3)C(=C)C)C)O)O)CO)O |
| InChIKey | MIQXWLWKVCOSDG-UHFFFAOYSA-N |
Product Overview
Kraussianin (B678021K218 (CAS 98716-95-1), with molecular formula C37H50O10 and molecular weight 654.34 g/mol. IUPAC: [10,11,22-trihydroxy-9-(hydroxymethyl)-2,13,15-trimethyl-4-prop-1-en-2-yl-8,24,26,27-tetraoxaheptacyclo[12.10.1.14,23.15,23.01,6.07,9.011,25]heptacosan-12-yl] benzoate.
Chemical Property Profile of Kraussianin (B678021K218
Property Insights of Kraussianin (B678021K218
The XLogP value of 5.0 indicates that Kraussianin (B678021K218 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting Kraussianin (B678021K218 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kraussianin (B678021K218 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kraussianin (B678021K218?
The CAS number of Kraussianin (B678021K218 is 98716-95-1.
What is the molecular formula of Kraussianin (B678021K218?
The molecular formula of Kraussianin (B678021K218 is C37H50O10.
What is the molecular weight of Kraussianin (B678021K218?
The molecular weight of Kraussianin (B678021K218 is 654.34 g/mol.
Where can I buy Kraussianin (B678021K218?
You can request a quote for Kraussianin (B678021K218 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kraussianin (B678021K218?
Yes, KEHONG BIO provides custom synthesis services for Kraussianin (B678021K218 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.