Gliotoxin monoacetate
TL;DR: Gliotoxin monoacetate (CAS 29762-25-2) is a chemical compound with molecular formula C15H16N2O5S2 and molecular weight 368.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-hydroxy-15-methyl-10,14-dioxo-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-dien-11-yl)methyl acetate
Also Known As: Gliotoxin monoacetate, 10H-3,10a-Epidithiopyrazino(1,2-a)indole-1,4-dione, 2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-, monoacetate (ester), (6-Hydroxy-2-methyl-1,4-dioxo-1,2,6,10-tetrahydro-5aH-3,10a-epidithiopyrazino[1,2-a]indol-3(4H)-yl)methyl acetate, RefChem:235837
| Molecular Formula | C15H16N2O5S2 |
|---|---|
| Molecular Weight | 368.05 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.05005 |
| Heavy Atoms | 24 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 29762-25-2 |
|---|---|
| SMILES | CC(=O)OCC12C(=O)N3C4C(C=CC=C4CC3(C(=O)N1C)SS2)O |
| InChIKey | QLYAMRRLJDIHHT-UHFFFAOYSA-N |
Product Overview
Gliotoxin monoacetate (CAS 29762-25-2), with molecular formula C15H16N2O5S2 and molecular weight 368.05 g/mol. IUPAC: (7-hydroxy-15-methyl-10,14-dioxo-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-dien-11-yl)methyl acetate.
Chemical Property Profile of Gliotoxin monoacetate
Property Insights of Gliotoxin monoacetate
The XLogP value of -0.7 indicates that Gliotoxin monoacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Gliotoxin monoacetate. Following Lipinski's Rule of Five, Gliotoxin monoacetate has 1 hydrogen bond donor(s) and 7 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 Gliotoxin monoacetate?
The CAS number of Gliotoxin monoacetate is 29762-25-2.
What is the molecular formula of Gliotoxin monoacetate?
The molecular formula of Gliotoxin monoacetate is C15H16N2O5S2.
What is the molecular weight of Gliotoxin monoacetate?
The molecular weight of Gliotoxin monoacetate is 368.05 g/mol.
Where can I buy Gliotoxin monoacetate?
You can request a quote for Gliotoxin monoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gliotoxin monoacetate?
Yes, KEHONG BIO provides custom synthesis services for Gliotoxin monoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.