Iso-T-2 toxin
TL;DR: Iso-T-2 toxin (CAS 114753-65-0) is a chemical compound with molecular formula C24H34O9 and molecular weight 466.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,4S,7R,9R,10R,11S)-10,11-diacetyloxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
Also Known As: Iso-T-2 toxin, 12,13-Epoxytrichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol 3,4-diacetate 8-isovalerate, Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 3,4-diacetate 8-(3-methylbutanoate), (3-alpha,4-beta,8-alpha)-, 3,4-Bis(acetyloxy)-15-hydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate, ((1S,2R,4S,7R,9R,10R,11S)-10,11-diacetyloxy-2-(hydroxymethyl)-1,5-dimethylspiro(8-oxatricyclo(7.2.1.02,7)dodec-5-ene-12,2'-oxirane)-4-yl) 3-methylbutanoate
| Molecular Formula | C24H34O9 |
|---|---|
| Molecular Weight | 466.22 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 466.22028 |
| Heavy Atoms | 33 |
| Complexity | 881.0 |
Chemical Identifiers
| CAS Number | 114753-65-0 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)OC(=O)C)OC(=O)C)C)CO |
| InChIKey | ZTSXGHQXQTWINZ-GOLADLMOSA-N |
Product Overview
Iso-T-2 toxin (CAS 114753-65-0), with molecular formula C24H34O9 and molecular weight 466.22 g/mol. IUPAC: [(1S,2R,4S,7R,9R,10R,11S)-10,11-diacetyloxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate.
Chemical Property Profile of Iso-T-2 toxin
Property Insights of Iso-T-2 toxin
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iso-T-2 toxin. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Iso-T-2 toxin. Following Lipinski's Rule of Five, Iso-T-2 toxin has 1 hydrogen bond donor(s) and 9 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 Iso-T-2 toxin?
The CAS number of Iso-T-2 toxin is 114753-65-0.
What is the molecular formula of Iso-T-2 toxin?
The molecular formula of Iso-T-2 toxin is C24H34O9.
What is the molecular weight of Iso-T-2 toxin?
The molecular weight of Iso-T-2 toxin is 466.22 g/mol.
Where can I buy Iso-T-2 toxin?
You can request a quote for Iso-T-2 toxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iso-T-2 toxin?
Yes, KEHONG BIO provides custom synthesis services for Iso-T-2 toxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.