Calonectrin
TL;DR: Calonectrin (CAS 38818-51-8) is a chemical compound with molecular formula C19H26O6 and molecular weight 350.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10-acetyloxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate
Also Known As: Calonectrin, (+)-Calonectrin, (3-alpha)-12,13-Epoxytrichothec-9-ene-3,15-diol diacetate, (3-.alpha.)-12,13-Epoxytrichothec-9-ene-3,15-diol diacetate, Trichothec-9-ene-3,15-diol, 12,13-epoxy-, diacetate, (3.alpha.)-
| Molecular Formula | C19H26O6 |
|---|---|
| Molecular Weight | 350.17 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 74.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.17294 |
| Heavy Atoms | 25 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 38818-51-8 |
|---|---|
| SMILES | CC1=CC2C(CC1)(C3(CC(C(C34CO4)O2)OC(=O)C)C)COC(=O)C |
| InChIKey | IGDIDZAQDRAJRB-UHFFFAOYSA-N |
Product Overview
Calonectrin (CAS 38818-51-8), with molecular formula C19H26O6 and molecular weight 350.17 g/mol. IUPAC: (10-acetyloxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate.
Chemical Property Profile of Calonectrin
Property Insights of Calonectrin
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calonectrin. The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Calonectrin. Following Lipinski's Rule of Five, Calonectrin has 0 hydrogen bond donor(s) and 6 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 Calonectrin?
The CAS number of Calonectrin is 38818-51-8.
What is the molecular formula of Calonectrin?
The molecular formula of Calonectrin is C19H26O6.
What is the molecular weight of Calonectrin?
The molecular weight of Calonectrin is 350.17 g/mol.
Where can I buy Calonectrin?
You can request a quote for Calonectrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calonectrin?
Yes, KEHONG BIO provides custom synthesis services for Calonectrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.