(15E)-15-(2-Carbamoylhydrazinylidene)-3-hydroxy-12,13-epoxytrichothec-9-en-4-yl acetate
TL;DR: (15E)-15-(2-Carbamoylhydrazinylidene)-3-hydroxy-12,13-epoxytrichothec-9-en-4-yl acetate (CAS 81331-36-4) is a chemical compound with molecular formula C18H25N3O6 and molecular weight 379.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(E)-(carbamoylhydrazinylidene)methyl]-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate
Also Known As: (15E)-15-(2-Carbamoylhydrazinylidene)-3-hydroxy-12,13-epoxytrichothec-9-en-4-yl acetate, [2-[(E)-(carbamoylhydrazinylidene)methyl]-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate
| Molecular Formula | C18H25N3O6 |
|---|---|
| Molecular Weight | 379.17 g/mol |
| LogP | 0.2159 |
| Topological Polar Surface Area | 135.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.17435 |
| Heavy Atoms | 27 |
| Complexity | 747.37897 |
Chemical Identifiers
| CAS Number | 81331-36-4 |
|---|---|
| SMILES | CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)/C=N/NC(=O)N |
Product Overview
(15E)-15-(2-Carbamoylhydrazinylidene)-3-hydroxy-12,13-epoxytrichothec-9-en-4-yl acetate (CAS 81331-36-4), with molecular formula C18H25N3O6 and molecular weight 379.17 g/mol. IUPAC: [2-[(E)-(carbamoylhydrazinylidene)methyl]-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate.
Chemical Property Profile of (15E)-15-(2-Carbamoylhydrazinylidene)-3-hydroxy-12,13-epoxytrichothec-9-en-4-yl acetate
Property Insights of (15E)-15-(2-Carbamoylhydrazinylidene)-3-hydroxy-12,13-epoxytrichothec-9-en-4-yl acetate
The XLogP value of 0.2159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (15E)-15-(2-Carbamoylhydrazinylidene)-3-hydroxy-12,13-epoxytrichothec-9-en-4-yl acetate. The TPSA of 135.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (15E)-15-(2-Carbamoylhydrazinylidene)-3-hydroxy-12,13-epoxytrichothec-9-en-4-yl acetate. Following Lipinski's Rule of Five, (15E)-15-(2-Carbamoylhydrazinylidene)-3-hydroxy-12,13-epoxytrichothec-9-en-4-yl acetate has 3 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 (15E)-15-(2-Carbamoylhydrazinylidene)-3-hydroxy-12,13-epoxytrichothec-9-en-4-yl acetate?
The CAS number of (15E)-15-(2-Carbamoylhydrazinylidene)-3-hydroxy-12,13-epoxytrichothec-9-en-4-yl acetate is 81331-36-4.
What is the molecular formula of (15E)-15-(2-Carbamoylhydrazinylidene)-3-hydroxy-12,13-epoxytrichothec-9-en-4-yl acetate?
The molecular formula of (15E)-15-(2-Carbamoylhydrazinylidene)-3-hydroxy-12,13-epoxytrichothec-9-en-4-yl acetate is C18H25N3O6.
What is the molecular weight of (15E)-15-(2-Carbamoylhydrazinylidene)-3-hydroxy-12,13-epoxytrichothec-9-en-4-yl acetate?
The molecular weight of (15E)-15-(2-Carbamoylhydrazinylidene)-3-hydroxy-12,13-epoxytrichothec-9-en-4-yl acetate is 379.17 g/mol.
Where can I buy (15E)-15-(2-Carbamoylhydrazinylidene)-3-hydroxy-12,13-epoxytrichothec-9-en-4-yl acetate?
You can request a quote for (15E)-15-(2-Carbamoylhydrazinylidene)-3-hydroxy-12,13-epoxytrichothec-9-en-4-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (15E)-15-(2-Carbamoylhydrazinylidene)-3-hydroxy-12,13-epoxytrichothec-9-en-4-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for (15E)-15-(2-Carbamoylhydrazinylidene)-3-hydroxy-12,13-epoxytrichothec-9-en-4-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.