(-)-Exserohilone
TL;DR: (-)-Exserohilone (CAS 99572-22-2) is a chemical compound with molecular formula C20H22N2O6S2 and molecular weight 450.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,15-dihydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-6,16-diene-2,8,12,18-tetrone
Also Known As: Exserohilone, (-)-Exserohilone, 1H,6H-Pyrazino[1,2-a:4,5-a']diindole-1,6,8,13(4H,6aH)- tetrone,4a,7,7a,11,11,11a,1a,14,14a-octahydro-4,11-dihydroxy-6a,13a-bis(methylthio)-, (4.alpha.,4a.alpha.,6a.beta.,7a.beta.,11.alpha.,11a.alpha.,13a.beta.,14a.beta.)-(-)-, 4,11-dihydroxy-6a,13a-bis(methylsulfanyl)-4a,7,7a,11,11a,13a,14,14a-octahydro-1H,6H-pyrazino[1,2-a:4,5-a']diindole-1,6,8,13(4H,6aH)-tetrone
| Molecular Formula | C20H22N2O6S2 |
|---|---|
| Molecular Weight | 450.09 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 450.09192 |
| Heavy Atoms | 30 |
| Complexity | 862.0 |
Chemical Identifiers
| CAS Number | 99572-22-2 |
|---|---|
| SMILES | CSC12CC3C(N1C(=O)C4(CC5C(N4C2=O)C(C=CC5=O)O)SC)C(C=CC3=O)O |
| InChIKey | FWPMSYUTOOUASJ-UHFFFAOYSA-N |
Product Overview
(-)-Exserohilone (CAS 99572-22-2), with molecular formula C20H22N2O6S2 and molecular weight 450.09 g/mol. IUPAC: 5,15-dihydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-6,16-diene-2,8,12,18-tetrone.
Chemical Property Profile of (-)-Exserohilone
Property Insights of (-)-Exserohilone
The XLogP value of -0.9 indicates that (-)-Exserohilone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting (-)-Exserohilone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (-)-Exserohilone has 2 hydrogen bond donor(s) and 8 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 (-)-Exserohilone?
The CAS number of (-)-Exserohilone is 99572-22-2.
What is the molecular formula of (-)-Exserohilone?
The molecular formula of (-)-Exserohilone is C20H22N2O6S2.
What is the molecular weight of (-)-Exserohilone?
The molecular weight of (-)-Exserohilone is 450.09 g/mol.
Where can I buy (-)-Exserohilone?
You can request a quote for (-)-Exserohilone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-Exserohilone?
Yes, KEHONG BIO provides custom synthesis services for (-)-Exserohilone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.