3,4-Dihydroxy-12,13-epoxytrichothec-9-en-15-al
TL;DR: 3,4-Dihydroxy-12,13-epoxytrichothec-9-en-15-al (CAS 81331-32-0) is a chemical compound with molecular formula C15H20O5 and molecular weight 280.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-carbaldehyde
Also Known As: 3,4-Dihydroxy-12,13-epoxytrichothec-9-en-15-al, 10,11-Dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-carbaldehyde
| Molecular Formula | C15H20O5 |
|---|---|
| Molecular Weight | 280.13 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.13107 |
| Heavy Atoms | 20 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 81331-32-0 |
|---|---|
| SMILES | CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)O)C)C=O |
| InChIKey | XZKNQSGBSDAKSA-UHFFFAOYSA-N |
Product Overview
3,4-Dihydroxy-12,13-epoxytrichothec-9-en-15-al (CAS 81331-32-0), with molecular formula C15H20O5 and molecular weight 280.13 g/mol. IUPAC: 10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-carbaldehyde.
Chemical Property Profile of 3,4-Dihydroxy-12,13-epoxytrichothec-9-en-15-al
Property Insights of 3,4-Dihydroxy-12,13-epoxytrichothec-9-en-15-al
The XLogP value of -1.1 indicates that 3,4-Dihydroxy-12,13-epoxytrichothec-9-en-15-al is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydroxy-12,13-epoxytrichothec-9-en-15-al. Following Lipinski's Rule of Five, 3,4-Dihydroxy-12,13-epoxytrichothec-9-en-15-al has 2 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 3,4-Dihydroxy-12,13-epoxytrichothec-9-en-15-al?
The CAS number of 3,4-Dihydroxy-12,13-epoxytrichothec-9-en-15-al is 81331-32-0.
What is the molecular formula of 3,4-Dihydroxy-12,13-epoxytrichothec-9-en-15-al?
The molecular formula of 3,4-Dihydroxy-12,13-epoxytrichothec-9-en-15-al is C15H20O5.
What is the molecular weight of 3,4-Dihydroxy-12,13-epoxytrichothec-9-en-15-al?
The molecular weight of 3,4-Dihydroxy-12,13-epoxytrichothec-9-en-15-al is 280.13 g/mol.
Where can I buy 3,4-Dihydroxy-12,13-epoxytrichothec-9-en-15-al?
You can request a quote for 3,4-Dihydroxy-12,13-epoxytrichothec-9-en-15-al directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydroxy-12,13-epoxytrichothec-9-en-15-al?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydroxy-12,13-epoxytrichothec-9-en-15-al and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.