胶霉毒素
TL;DR: 胶霉毒素 (CAS 67-99-2) is a chemical compound with molecular formula C13H14N2O4S2 and molecular weight 326.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
胶霉毒素
7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,14-dione
Also Known As: gliotoxin, Aspergillin, BCBcMAP01_000033, SMP1_000141, NCI60_000081
| Molecular Formula | C13H14N2O4S2 |
|---|---|
| Molecular Weight | 326.04 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.0395 |
| Heavy Atoms | 21 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 67-99-2 |
|---|---|
| SMILES | CN1C(=O)C23CC4=CC=CC(C4N2C(=O)C1(SS3)CO)O |
| InChIKey | FIVPIPIDMRVLAY-UHFFFAOYSA-N |
Product Overview
胶霉毒素 (CAS 67-99-2), with molecular formula C13H14N2O4S2 and molecular weight 326.04 g/mol. IUPAC: 7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,14-dione.
Chemical Property Profile of 胶霉毒素
Property Insights of 胶霉毒素
The XLogP value of -0.7 indicates that 胶霉毒素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 胶霉毒素. Following Lipinski's Rule of Five, 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 gliotoxin?
The CAS number of gliotoxin is 67-99-2.
What is the molecular formula of gliotoxin?
The molecular formula of gliotoxin is C13H14N2O4S2.
What is the molecular weight of gliotoxin?
The molecular weight of gliotoxin is 326.04 g/mol.
Where can I buy gliotoxin?
You can request a quote for gliotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for gliotoxin?
Yes, KEHONG BIO provides custom synthesis services for gliotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.