Trichotheca-9,12-diene-3,4,8,15-tetrol, (3alpha,4beta,8alpha)-
TL;DR: Trichotheca-9,12-diene-3,4,8,15-tetrol, (3alpha,4beta,8alpha)- (CAS 98896-89-0) is a chemical compound with molecular formula C15H22O5 and molecular weight 282.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,4S,7R,9S,10R,11S)-2-(hydroxymethyl)-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-ene-4,10,11-triol
Also Known As: Trichotheca-9,12-diene-3,4,8,15-tetrol, Trichotheca-9,12-diene-3,4,8,15-tetrol, (3alpha,4beta,8alpha)-, Trichotheca-9,12-diene-3alpha,4beta,8alpha,15-tetrol
| Molecular Formula | C15H22O5 |
|---|---|
| Molecular Weight | 282.15 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.14673 |
| Heavy Atoms | 20 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 98896-89-0 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](C[C@@H]1O)([C@]3([C@@H]([C@H]([C@H](C3=C)O2)O)O)C)CO |
| InChIKey | GONOXEGQQAETTL-AAFZENKGSA-N |
Product Overview
Trichotheca-9,12-diene-3,4,8,15-tetrol, (3alpha,4beta,8alpha)- (CAS 98896-89-0), with molecular formula C15H22O5 and molecular weight 282.15 g/mol. IUPAC: (1S,2R,4S,7R,9S,10R,11S)-2-(hydroxymethyl)-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-ene-4,10,11-triol.
Chemical Property Profile of Trichotheca-9,12-diene-3,4,8,15-tetrol, (3alpha,4beta,8alpha)-
Property Insights of Trichotheca-9,12-diene-3,4,8,15-tetrol, (3alpha,4beta,8alpha)-
The XLogP value of -1.4 indicates that Trichotheca-9,12-diene-3,4,8,15-tetrol, (3alpha,4beta,8alpha)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichotheca-9,12-diene-3,4,8,15-tetrol, (3alpha,4beta,8alpha)-. Following Lipinski's Rule of Five, Trichotheca-9,12-diene-3,4,8,15-tetrol, (3alpha,4beta,8alpha)- has 4 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 Trichotheca-9,12-diene-3,4,8,15-tetrol, (3alpha,4beta,8alpha)-?
The CAS number of Trichotheca-9,12-diene-3,4,8,15-tetrol, (3alpha,4beta,8alpha)- is 98896-89-0.
What is the molecular formula of Trichotheca-9,12-diene-3,4,8,15-tetrol, (3alpha,4beta,8alpha)-?
The molecular formula of Trichotheca-9,12-diene-3,4,8,15-tetrol, (3alpha,4beta,8alpha)- is C15H22O5.
What is the molecular weight of Trichotheca-9,12-diene-3,4,8,15-tetrol, (3alpha,4beta,8alpha)-?
The molecular weight of Trichotheca-9,12-diene-3,4,8,15-tetrol, (3alpha,4beta,8alpha)- is 282.15 g/mol.
Where can I buy Trichotheca-9,12-diene-3,4,8,15-tetrol, (3alpha,4beta,8alpha)-?
You can request a quote for Trichotheca-9,12-diene-3,4,8,15-tetrol, (3alpha,4beta,8alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichotheca-9,12-diene-3,4,8,15-tetrol, (3alpha,4beta,8alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Trichotheca-9,12-diene-3,4,8,15-tetrol, (3alpha,4beta,8alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.