2-Methyl-1,4,7,10,13-pentaoxacyclopentadecane
TL;DR: 2-Methyl-1,4,7,10,13-pentaoxacyclopentadecane (CAS 68165-53-7) is a chemical compound with molecular formula C21H28O9 and molecular weight 424.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,4S,7R,9R,10R,11S,12S)-10,11-diacetyloxy-4-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Also Known As: 2-Methyl-1,4,7,10,13-pentaoxacyclopentadecane, Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 3,4,15-triacetate, (3alpha,4beta,8alpha)-, 8-Hydroxy-12,13-epoxytrichothec-9-ene-3,4,15-triyl triacetate, Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-,3,4,15-triacetate, -, 8-Hydroxy-3alpha,4beta,8alpha-12,13-epoxytrichothec-9-ene-3,4,15-triyl triacetate
| Molecular Formula | C21H28O9 |
|---|---|
| Molecular Weight | 424.17 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.17334 |
| Heavy Atoms | 30 |
| Complexity | 821.0 |
Chemical Identifiers
| CAS Number | 68165-53-7 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](C[C@@H]1O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)OC(=O)C)C)COC(=O)C |
| InChIKey | ILEMKIHPSTWKCL-HXZSLLSJSA-N |
Product Overview
2-Methyl-1,4,7,10,13-pentaoxacyclopentadecane (CAS 68165-53-7), with molecular formula C21H28O9 and molecular weight 424.17 g/mol. IUPAC: [(1S,2R,4S,7R,9R,10R,11S,12S)-10,11-diacetyloxy-4-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate.
Chemical Property Profile of 2-Methyl-1,4,7,10,13-pentaoxacyclopentadecane
Property Insights of 2-Methyl-1,4,7,10,13-pentaoxacyclopentadecane
The XLogP value of -0.3 indicates that 2-Methyl-1,4,7,10,13-pentaoxacyclopentadecane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-1,4,7,10,13-pentaoxacyclopentadecane. Following Lipinski's Rule of Five, 2-Methyl-1,4,7,10,13-pentaoxacyclopentadecane has 1 hydrogen bond donor(s) and 9 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 2-Methyl-1,4,7,10,13-pentaoxacyclopentadecane?
The CAS number of 2-Methyl-1,4,7,10,13-pentaoxacyclopentadecane is 68165-53-7.
What is the molecular formula of 2-Methyl-1,4,7,10,13-pentaoxacyclopentadecane?
The molecular formula of 2-Methyl-1,4,7,10,13-pentaoxacyclopentadecane is C21H28O9.
What is the molecular weight of 2-Methyl-1,4,7,10,13-pentaoxacyclopentadecane?
The molecular weight of 2-Methyl-1,4,7,10,13-pentaoxacyclopentadecane is 424.17 g/mol.
Where can I buy 2-Methyl-1,4,7,10,13-pentaoxacyclopentadecane?
You can request a quote for 2-Methyl-1,4,7,10,13-pentaoxacyclopentadecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1,4,7,10,13-pentaoxacyclopentadecane?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1,4,7,10,13-pentaoxacyclopentadecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.