3-Oxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(chloroacetate)
TL;DR: 3-Oxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(chloroacetate) (CAS 79320-83-5) is a chemical compound with molecular formula C19H22Cl2O7 and molecular weight 432.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[11-(2-chloroacetyl)oxy-1,5-dimethyl-10-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-chloroacetate
Also Known As: 3-Oxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(chloroacetate), [11-(2-Chloroacetyl)oxy-1,5-dimethyl-10-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-chloroacetate
| Molecular Formula | C19H22Cl2O7 |
|---|---|
| Molecular Weight | 432.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.07425 |
| Heavy Atoms | 28 |
| Complexity | 767.0 |
Chemical Identifiers
| CAS Number | 79320-83-5 |
|---|---|
| SMILES | CC1=CC2C(CC1)(C3(C(C(=O)C(C34CO4)O2)OC(=O)CCl)C)COC(=O)CCl |
| InChIKey | QTWLIYSPGOWHAJ-UHFFFAOYSA-N |
Product Overview
3-Oxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(chloroacetate) (CAS 79320-83-5), with molecular formula C19H22Cl2O7 and molecular weight 432.07 g/mol. IUPAC: [11-(2-chloroacetyl)oxy-1,5-dimethyl-10-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-chloroacetate.
Chemical Property Profile of 3-Oxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(chloroacetate)
Property Insights of 3-Oxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(chloroacetate)
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(chloroacetate). The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(chloroacetate). Following Lipinski's Rule of Five, 3-Oxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(chloroacetate) has 0 hydrogen bond donor(s) and 7 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-ene-4,15-diyl bis(chloroacetate)?
The CAS number of 3-Oxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(chloroacetate) is 79320-83-5.
What is the molecular formula of 3-Oxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(chloroacetate)?
The molecular formula of 3-Oxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(chloroacetate) is C19H22Cl2O7.
What is the molecular weight of 3-Oxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(chloroacetate)?
The molecular weight of 3-Oxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(chloroacetate) is 432.07 g/mol.
Where can I buy 3-Oxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(chloroacetate)?
You can request a quote for 3-Oxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(chloroacetate) 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-ene-4,15-diyl bis(chloroacetate)?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(chloroacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.