3-Oxo-12,13-epoxytrichothec-9-en-15-yl acetate
TL;DR: 3-Oxo-12,13-epoxytrichothec-9-en-15-yl acetate (CAS 2619-59-2) is a chemical compound with molecular formula C17H22O5 and molecular weight 306.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,5-dimethyl-10-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate
Also Known As: 3-Oxo-12,13-epoxytrichothec-9-en-15-yl acetate, ANGUIDINE DERIV (15-ACETOXY-3-KETO-SCIRPENE), (1,5-Dimethyl-10-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate
| Molecular Formula | C17H22O5 |
|---|---|
| Molecular Weight | 306.15 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.14673 |
| Heavy Atoms | 22 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 2619-59-2 |
|---|---|
| SMILES | CC1=CC2C(CC1)(C3(CC(=O)C(C34CO4)O2)C)COC(=O)C |
| InChIKey | ISYKASJFKXEVFU-UHFFFAOYSA-N |
Product Overview
3-Oxo-12,13-epoxytrichothec-9-en-15-yl acetate (CAS 2619-59-2), with molecular formula C17H22O5 and molecular weight 306.15 g/mol. IUPAC: (1,5-dimethyl-10-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate.
Chemical Property Profile of 3-Oxo-12,13-epoxytrichothec-9-en-15-yl acetate
Property Insights of 3-Oxo-12,13-epoxytrichothec-9-en-15-yl acetate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-12,13-epoxytrichothec-9-en-15-yl acetate. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxo-12,13-epoxytrichothec-9-en-15-yl acetate. Following Lipinski's Rule of Five, 3-Oxo-12,13-epoxytrichothec-9-en-15-yl acetate 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 3-Oxo-12,13-epoxytrichothec-9-en-15-yl acetate?
The CAS number of 3-Oxo-12,13-epoxytrichothec-9-en-15-yl acetate is 2619-59-2.
What is the molecular formula of 3-Oxo-12,13-epoxytrichothec-9-en-15-yl acetate?
The molecular formula of 3-Oxo-12,13-epoxytrichothec-9-en-15-yl acetate is C17H22O5.
What is the molecular weight of 3-Oxo-12,13-epoxytrichothec-9-en-15-yl acetate?
The molecular weight of 3-Oxo-12,13-epoxytrichothec-9-en-15-yl acetate is 306.15 g/mol.
Where can I buy 3-Oxo-12,13-epoxytrichothec-9-en-15-yl acetate?
You can request a quote for 3-Oxo-12,13-epoxytrichothec-9-en-15-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-12,13-epoxytrichothec-9-en-15-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-12,13-epoxytrichothec-9-en-15-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.