Dehydrogliotoxin
TL;DR: Dehydrogliotoxin (CAS 1668-07-1) is a chemical compound with molecular formula C13H12N2O4S2 and molecular weight 324.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11R)-7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3(8),4,6-triene-10,14-dione
Also Known As: Dehydrogliotoxin, (3R)-6-hydroxy-3-(hydroxymethyl)-2-methyl-2,3-dihydro-10H-3,10a-epidithiopyrazino[1,2-a]indole-1,4-dione, 6-Hydroxy-3-(hydroxymethyl)-2-methyl-2,3-dihydro-10H-3,10a-epidithiopyrazino[1,2-a]indole-1,4-dione
| Molecular Formula | C13H12N2O4S2 |
|---|---|
| Molecular Weight | 324.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 324.02383 |
| Heavy Atoms | 21 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 1668-07-1 |
|---|---|
| SMILES | CN1C(=O)C23CC4=C(N2C(=O)[C@]1(SS3)CO)C(=CC=C4)O |
| InChIKey | BNNLUYCZQNYABS-ZGTCLIOFSA-N |
Product Overview
Dehydrogliotoxin (CAS 1668-07-1), with molecular formula C13H12N2O4S2 and molecular weight 324.02 g/mol. IUPAC: (11R)-7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3(8),4,6-triene-10,14-dione.
Chemical Property Profile of Dehydrogliotoxin
Property Insights of Dehydrogliotoxin
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dehydrogliotoxin. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydrogliotoxin. Following Lipinski's Rule of Five, Dehydrogliotoxin 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 Dehydrogliotoxin?
The CAS number of Dehydrogliotoxin is 1668-07-1.
What is the molecular formula of Dehydrogliotoxin?
The molecular formula of Dehydrogliotoxin is C13H12N2O4S2.
What is the molecular weight of Dehydrogliotoxin?
The molecular weight of Dehydrogliotoxin is 324.02 g/mol.
Where can I buy Dehydrogliotoxin?
You can request a quote for Dehydrogliotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydrogliotoxin?
Yes, KEHONG BIO provides custom synthesis services for Dehydrogliotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.