12,13-Epoxytrichothec-9-ene
TL;DR: 12,13-Epoxytrichothec-9-ene (CAS 42036-59-9) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,7R,9R,12S)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]
Also Known As: Scirpene, 12,13-Epoxytrichothec-9-ene, TRICHOTHECENE, (+/-)-Scirpene, Trichothec-9-ene, 12,13-epoxy-
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 21.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 42036-59-9 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@]3(CC[C@H]([C@@]34CO4)O2)C)C |
| InChIKey | LZAJKCZTKKKZNT-QMIVOQANSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
12,13-Epoxytrichothec-9-ene (CAS 42036-59-9), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: (1R,2R,7R,9R,12S)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane].
Chemical Property Profile of 12,13-Epoxytrichothec-9-ene
Property Insights of 12,13-Epoxytrichothec-9-ene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12,13-Epoxytrichothec-9-ene. With a topological polar surface area (TPSA) of 21.8 Ų, 12,13-Epoxytrichothec-9-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12,13-Epoxytrichothec-9-ene has 0 hydrogen bond donor(s) and 2 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 12,13-Epoxytrichothec-9-ene?
The CAS number of 12,13-Epoxytrichothec-9-ene is 42036-59-9.
What is the molecular formula of 12,13-Epoxytrichothec-9-ene?
The molecular formula of 12,13-Epoxytrichothec-9-ene is C15H22O2.
What is the molecular weight of 12,13-Epoxytrichothec-9-ene?
The molecular weight of 12,13-Epoxytrichothec-9-ene is 234.16 g/mol.
Where can I buy 12,13-Epoxytrichothec-9-ene?
You can request a quote for 12,13-Epoxytrichothec-9-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12,13-Epoxytrichothec-9-ene?
Yes, KEHONG BIO provides custom synthesis services for 12,13-Epoxytrichothec-9-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.