Bisdethiobis(Methylthio)Gliotoxin
TL;DR: Bisdethiobis(Methylthio)Gliotoxin (CAS 74149-38-5) is a chemical compound with molecular formula C15H20N2O4S2 and molecular weight 356.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5aS,6S,10aR)-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-6,10-dihydro-5aH-pyrazino[1,2-a]indole-1,4-dione
Also Known As: Bisdethiobis(methylthio)gliotoxin, bis(methylthio)gliotoxin, dimethylgliotoxin, BmGT, BIS GLIOTOXIN
| Molecular Formula | C15H20N2O4S2 |
|---|---|
| Molecular Weight | 356.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.08646 |
| Heavy Atoms | 23 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 74149-38-5 |
|---|---|
| SMILES | CN1C(=O)[C@@]2(CC3=CC=C[C@@H]([C@H]3N2C(=O)[C@@]1(CO)SC)O)SC |
| InChIKey | OVBAGMZLGLXSBN-UOVKNHIHSA-N |
Product Overview
Bisdethiobis(Methylthio)Gliotoxin (CAS 74149-38-5), with molecular formula C15H20N2O4S2 and molecular weight 356.09 g/mol. IUPAC: (3R,5aS,6S,10aR)-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-6,10-dihydro-5aH-pyrazino[1,2-a]indole-1,4-dione.
Chemical Property Profile of Bisdethiobis(Methylthio)Gliotoxin
Property Insights of Bisdethiobis(Methylthio)Gliotoxin
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bisdethiobis(Methylthio)Gliotoxin. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bisdethiobis(Methylthio)Gliotoxin. Following Lipinski's Rule of Five, Bisdethiobis(Methylthio)Gliotoxin has 2 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 Bisdethiobis(Methylthio)Gliotoxin?
The CAS number of Bisdethiobis(Methylthio)Gliotoxin is 74149-38-5.
What is the molecular formula of Bisdethiobis(Methylthio)Gliotoxin?
The molecular formula of Bisdethiobis(Methylthio)Gliotoxin is C15H20N2O4S2.
What is the molecular weight of Bisdethiobis(Methylthio)Gliotoxin?
The molecular weight of Bisdethiobis(Methylthio)Gliotoxin is 356.09 g/mol.
Where can I buy Bisdethiobis(Methylthio)Gliotoxin?
You can request a quote for Bisdethiobis(Methylthio)Gliotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bisdethiobis(Methylthio)Gliotoxin?
Yes, KEHONG BIO provides custom synthesis services for Bisdethiobis(Methylthio)Gliotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.