Excisanin B
TL;DR: Excisanin B (CAS 78536-36-4) is a chemical compound with molecular formula C22H32O6 and molecular weight 392.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(16R)-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-12-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
Also Known As: Excisanin B, trans-4-methylcyclohexylisocyanate, NCI60_012414, [(16R)-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-12-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
| Molecular Formula | C22H32O6 |
|---|---|
| Molecular Weight | 392.22 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 392.21988 |
| Heavy Atoms | 28 |
| Complexity | 743.0 |
Chemical Identifiers
| CAS Number | 78536-36-4 |
|---|---|
| SMILES | CC(=O)OC1CC2C3(C(CCC(C3CC(C24[C@@H](C1C(=C)C4=O)O)O)(C)C)O)C |
| InChIKey | VAAUVQKKXHANPM-SASCPTOWSA-N |
Product Overview
Excisanin B (CAS 78536-36-4), with molecular formula C22H32O6 and molecular weight 392.22 g/mol. IUPAC: [(16R)-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-12-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate.
Chemical Property Profile of Excisanin B
Property Insights of Excisanin B
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Excisanin B. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Excisanin B. Following Lipinski's Rule of Five, Excisanin B has 3 hydrogen bond donor(s) and 6 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 Excisanin B?
The CAS number of Excisanin B is 78536-36-4.
What is the molecular formula of Excisanin B?
The molecular formula of Excisanin B is C22H32O6.
What is the molecular weight of Excisanin B?
The molecular weight of Excisanin B is 392.22 g/mol.
Where can I buy Excisanin B?
You can request a quote for Excisanin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Excisanin B?
Yes, KEHONG BIO provides custom synthesis services for Excisanin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.