15-(Acetyloxy)-3,8-dioxo-12,13-epoxytrichothec-9-en-4-yl chloroacetate
TL;DR: 15-(Acetyloxy)-3,8-dioxo-12,13-epoxytrichothec-9-en-4-yl chloroacetate (CAS 77620-57-6) is a chemical compound with molecular formula C19H21ClO8 and molecular weight 412.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(acetyloxymethyl)-1,5-dimethyl-4,10-dioxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 2-chloroacetate
Also Known As: 15-(Acetyloxy)-3,8-dioxo-12,13-epoxytrichothec-9-en-4-yl chloroacetate, Trichothec-9-ene-3, 15-(acetyloxy)-4-[(chloroacetyl)oxy]-12,13-epoxy-, (4.beta.)-, [2-(Acetyloxymethyl)-1,5-dimethyl-4,10-dioxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 2-chloroacetate
| Molecular Formula | C19H21ClO8 |
|---|---|
| Molecular Weight | 412.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.0925 |
| Heavy Atoms | 28 |
| Complexity | 821.0 |
Chemical Identifiers
| CAS Number | 77620-57-6 |
|---|---|
| SMILES | CC1=CC2C(CC1=O)(C3(C(C(=O)C(C34CO4)O2)OC(=O)CCl)C)COC(=O)C |
| InChIKey | YJWDODRMMPONGJ-UHFFFAOYSA-N |
Product Overview
15-(Acetyloxy)-3,8-dioxo-12,13-epoxytrichothec-9-en-4-yl chloroacetate (CAS 77620-57-6), with molecular formula C19H21ClO8 and molecular weight 412.09 g/mol. IUPAC: [2-(acetyloxymethyl)-1,5-dimethyl-4,10-dioxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 2-chloroacetate.
Chemical Property Profile of 15-(Acetyloxy)-3,8-dioxo-12,13-epoxytrichothec-9-en-4-yl chloroacetate
Property Insights of 15-(Acetyloxy)-3,8-dioxo-12,13-epoxytrichothec-9-en-4-yl chloroacetate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 15-(Acetyloxy)-3,8-dioxo-12,13-epoxytrichothec-9-en-4-yl chloroacetate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 15-(Acetyloxy)-3,8-dioxo-12,13-epoxytrichothec-9-en-4-yl chloroacetate. Following Lipinski's Rule of Five, 15-(Acetyloxy)-3,8-dioxo-12,13-epoxytrichothec-9-en-4-yl chloroacetate has 0 hydrogen bond donor(s) and 8 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 15-(Acetyloxy)-3,8-dioxo-12,13-epoxytrichothec-9-en-4-yl chloroacetate?
The CAS number of 15-(Acetyloxy)-3,8-dioxo-12,13-epoxytrichothec-9-en-4-yl chloroacetate is 77620-57-6.
What is the molecular formula of 15-(Acetyloxy)-3,8-dioxo-12,13-epoxytrichothec-9-en-4-yl chloroacetate?
The molecular formula of 15-(Acetyloxy)-3,8-dioxo-12,13-epoxytrichothec-9-en-4-yl chloroacetate is C19H21ClO8.
What is the molecular weight of 15-(Acetyloxy)-3,8-dioxo-12,13-epoxytrichothec-9-en-4-yl chloroacetate?
The molecular weight of 15-(Acetyloxy)-3,8-dioxo-12,13-epoxytrichothec-9-en-4-yl chloroacetate is 412.09 g/mol.
Where can I buy 15-(Acetyloxy)-3,8-dioxo-12,13-epoxytrichothec-9-en-4-yl chloroacetate?
You can request a quote for 15-(Acetyloxy)-3,8-dioxo-12,13-epoxytrichothec-9-en-4-yl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 15-(Acetyloxy)-3,8-dioxo-12,13-epoxytrichothec-9-en-4-yl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 15-(Acetyloxy)-3,8-dioxo-12,13-epoxytrichothec-9-en-4-yl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.