Trichothecine
TL;DR: Trichothecine (CAS 6379-69-7) is a chemical compound with molecular formula C19H24O5 and molecular weight 332.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,2,5-trimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl) but-2-enoate
Also Known As: Trichothecine, Trichothecin, 12,13-Epoxy-4-hydroxytrichothec-9-en-8-one crotonate, 12,13-Epoxy-4-((1-oxo-2-butenyl)oxy)trichothec-9-en-8-one, Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, crotonate
| Molecular Formula | C19H24O5 |
|---|---|
| Molecular Weight | 332.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.16238 |
| Heavy Atoms | 24 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 6379-69-7 |
|---|---|
| SMILES | CC=CC(=O)OC1CC2C3(C1(C4(CC(=O)C(=CC4O2)C)C)C)CO3 |
| InChIKey | LJWZOKOFCBPNAG-UHFFFAOYSA-N |
Product Overview
Trichothecine (CAS 6379-69-7), with molecular formula C19H24O5 and molecular weight 332.16 g/mol. IUPAC: (1,2,5-trimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl) but-2-enoate.
Chemical Property Profile of Trichothecine
Property Insights of Trichothecine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichothecine. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichothecine. Following Lipinski's Rule of Five, Trichothecine has 0 hydrogen bond donor(s) and 5 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 Trichothecine?
The CAS number of Trichothecine is 6379-69-7.
What is the molecular formula of Trichothecine?
The molecular formula of Trichothecine is C19H24O5.
What is the molecular weight of Trichothecine?
The molecular weight of Trichothecine is 332.16 g/mol.
Where can I buy Trichothecine?
You can request a quote for Trichothecine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichothecine?
Yes, KEHONG BIO provides custom synthesis services for Trichothecine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.