Isotrichodermin
TL;DR: Isotrichodermin (CAS 97404-08-5) is a chemical compound with molecular formula C17H24O4 and molecular weight 292.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,7R,9R,10R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate
Also Known As: Isotrichodermin, KST-1A9189, 5-Phenyl-3-(2,4-xylyl)-s-triazole, 12,13-Epoxytrichothec-9-en-3-yl acetate, 12,13-Epoxy-trichothec-9-ene-3-ol acetate
| Molecular Formula | C17H24O4 |
|---|---|
| Molecular Weight | 292.17 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 48.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.16745 |
| Heavy Atoms | 21 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 97404-08-5 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)(C3(C[C@H]([C@H](C34CO4)O2)OC(=O)C)C)C |
| InChIKey | OZXJPPYWZVBMGW-DJXIOKRSSA-N |
Product Overview
Isotrichodermin (CAS 97404-08-5), with molecular formula C17H24O4 and molecular weight 292.17 g/mol. IUPAC: [(2R,7R,9R,10R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate.
Chemical Property Profile of Isotrichodermin
Property Insights of Isotrichodermin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isotrichodermin. With a topological polar surface area (TPSA) of 48.1 Ų, Isotrichodermin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isotrichodermin has 0 hydrogen bond donor(s) and 4 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 Isotrichodermin?
The CAS number of Isotrichodermin is 97404-08-5.
What is the molecular formula of Isotrichodermin?
The molecular formula of Isotrichodermin is C17H24O4.
What is the molecular weight of Isotrichodermin?
The molecular weight of Isotrichodermin is 292.17 g/mol.
Where can I buy Isotrichodermin?
You can request a quote for Isotrichodermin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isotrichodermin?
Yes, KEHONG BIO provides custom synthesis services for Isotrichodermin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.