Thaxtomine A
TL;DR: Thaxtomine A (CAS 122380-18-1) is a chemical compound with molecular formula C22H22N4O6 and molecular weight 438.15393 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,6S)-3-hydroxy-3-[(3-hydroxyphenyl)methyl]-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
Also Known As: Thaxtomin A, Thaxtomine A, Thaztomin A, Phytotoxin 1, Phytotoxin 1 (Streptomyces scabies)
Technical Specifications
| Molecular Formula | C22H22N4O6 |
| Molecular Weight | 438.15393 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.15393 Da |
| Heavy Atoms | 32 |
| Complexity | 759.0 |
| SMILES | CN1[C@H](C(=O)N([C@](C1=O)(CC2=CC(=CC=C2)O)O)C)CC3=CNC4=C3C(=CC=C4)[N+](=O)[O-] |
| InChIKey | QRDNJYNIEGRRKV-PGRDOPGGSA-N |
Chemical Property Profile of Thaxtomine A
Property Insights of Thaxtomine A
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thaxtomine A. The TPSA of 143.0 Ų indicates high polarity, suggesting Thaxtomine A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thaxtomine A has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Thaxtomine A?
The CAS number of Thaxtomine A is 122380-18-1.
What is the molecular formula of Thaxtomine A?
The molecular formula of Thaxtomine A is C22H22N4O6.
What is the molecular weight of Thaxtomine A?
The molecular weight of Thaxtomine A is 438.15393 g/mol.
Where can I buy Thaxtomine A?
You can request a quote for Thaxtomine A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thaxtomine A?
Yes, CoreyChem provides custom synthesis services for Thaxtomine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.