Trichotheca-9,12-diene
TL;DR: Trichotheca-9,12-diene (CAS 6640-88-6) is a chemical compound with molecular formula C15H22O and molecular weight 218.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,7R,9R)-1,2,5-trimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-ene
Also Known As: trichotheca-9,12-diene
| Molecular Formula | C15H22O |
|---|---|
| Molecular Weight | 218.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.16707 |
| Heavy Atoms | 16 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 6640-88-6 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@]3(CC[C@H](C3=C)O2)C)C |
| InChIKey | FEBUUXWXLZUIGB-KBXIAJHMSA-N |
Product Overview
Trichotheca-9,12-diene (CAS 6640-88-6), with molecular formula C15H22O and molecular weight 218.17 g/mol. IUPAC: (1S,2R,7R,9R)-1,2,5-trimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-ene.
Chemical Property Profile of Trichotheca-9,12-diene
Property Insights of Trichotheca-9,12-diene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichotheca-9,12-diene. With a topological polar surface area (TPSA) of 9.2 Ų, Trichotheca-9,12-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trichotheca-9,12-diene has 0 hydrogen bond donor(s) and 1 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?
The CAS number of Trichotheca-9,12-diene is 6640-88-6.
What is the molecular formula of Trichotheca-9,12-diene?
The molecular formula of Trichotheca-9,12-diene is C15H22O.
What is the molecular weight of Trichotheca-9,12-diene?
The molecular weight of Trichotheca-9,12-diene is 218.17 g/mol.
Where can I buy Trichotheca-9,12-diene?
You can request a quote for Trichotheca-9,12-diene 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?
Yes, KEHONG BIO provides custom synthesis services for Trichotheca-9,12-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.