Toxin III (Helminthosporium carbonum)
TL;DR: Toxin III (Helminthosporium carbonum) (CAS 106894-13-7) is a chemical compound with molecular formula C21H32N4O7 and molecular weight 452.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-hydroxy-6,9-dimethyl-3-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Also Known As: Toxin III (Helminthosporium carbonum), Cyclo(alanylalanyl-8-oxiranyl-8-oxo-2-aminooctanoyl-trans-3-hydroxyprolyl), 1,4,7,14-Tetrahydroxy-3,6-dimethyl-9-[6-(oxiran-2-yl)-6-oxohexyl]-6,9,12,13,14,14a-hexahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-10(3H)-one, 13-hydroxy-6,9-dimethyl-3-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone, RefChem:385667
| Molecular Formula | C21H32N4O7 |
|---|---|
| Molecular Weight | 452.23 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.2271 |
| Heavy Atoms | 32 |
| Complexity | 773.0 |
Chemical Identifiers
| CAS Number | 106894-13-7 |
|---|---|
| SMILES | CC1C(=O)NC(C(=O)N2CCC(C2C(=O)NC(C(=O)N1)C)O)CCCCCC(=O)C3CO3 |
| InChIKey | NZFQDHZWYOBUCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Toxin III (Helminthosporium carbonum) (CAS 106894-13-7), with molecular formula C21H32N4O7 and molecular weight 452.23 g/mol. IUPAC: 13-hydroxy-6,9-dimethyl-3-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone.
Chemical Property Profile of Toxin III (Helminthosporium carbonum)
Property Insights of Toxin III (Helminthosporium carbonum)
The XLogP value of -1.1 indicates that Toxin III (Helminthosporium carbonum) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.0 Ų indicates high polarity, suggesting Toxin III (Helminthosporium carbonum) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Toxin III (Helminthosporium carbonum) has 4 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 Toxin III (Helminthosporium carbonum)?
The CAS number of Toxin III (Helminthosporium carbonum) is 106894-13-7.
What is the molecular formula of Toxin III (Helminthosporium carbonum)?
The molecular formula of Toxin III (Helminthosporium carbonum) is C21H32N4O7.
What is the molecular weight of Toxin III (Helminthosporium carbonum)?
The molecular weight of Toxin III (Helminthosporium carbonum) is 452.23 g/mol.
Where can I buy Toxin III (Helminthosporium carbonum)?
You can request a quote for Toxin III (Helminthosporium carbonum) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Toxin III (Helminthosporium carbonum)?
Yes, KEHONG BIO provides custom synthesis services for Toxin III (Helminthosporium carbonum) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.