Trichothecane deriv
TL;DR: Trichothecane deriv (CAS 77620-52-1) is a chemical compound with molecular formula C21H27ClO7 and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[11-(2-chloroacetyl)oxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-methylprop-2-enoate
Also Known As: TRICHOTHECANE DERIV, Spiro(2,2'-oxirane), trichothec-9-ene-3,4,15-triolderiv., 4-[(Chloroacetyl)oxy]-3-hydroxy-12,13-epoxytrichothec-9-en-15-yl 2-methylprop-2-enoate, Spiro(2,5-methano-1-benzoxepin-10,2'-oxirane), trichothec-9-ene-3,4,15-triolderiv., Trichothec-9-ene-3,15-triol, 12,13-epoxy-, 4-(chloroacetate) 15-(2-methyl-2-propenoate), (3.alpha.,4.beta.)-
| Molecular Formula | C21H27ClO7 |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.14453 |
| Heavy Atoms | 29 |
| Complexity | 794.0 |
Chemical Identifiers
| CAS Number | 77620-52-1 |
|---|---|
| SMILES | CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)OC(=O)CCl)C)COC(=O)C(=C)C |
| InChIKey | WKNNFQZVGKCJHD-UHFFFAOYSA-N |
Product Overview
Trichothecane deriv (CAS 77620-52-1), with molecular formula C21H27ClO7 and molecular weight 426.14 g/mol. IUPAC: [11-(2-chloroacetyl)oxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-methylprop-2-enoate.
Chemical Property Profile of Trichothecane deriv
Property Insights of Trichothecane deriv
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichothecane deriv. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichothecane deriv. Following Lipinski's Rule of Five, Trichothecane deriv has 1 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 Trichothecane deriv?
The CAS number of Trichothecane deriv is 77620-52-1.
What is the molecular formula of Trichothecane deriv?
The molecular formula of Trichothecane deriv is C21H27ClO7.
What is the molecular weight of Trichothecane deriv?
The molecular weight of Trichothecane deriv is 426.14 g/mol.
Where can I buy Trichothecane deriv?
You can request a quote for Trichothecane deriv directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichothecane deriv?
Yes, KEHONG BIO provides custom synthesis services for Trichothecane deriv and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.