Deacetylanguidin
TL;DR: Deacetylanguidin (CAS 2623-22-5) is a chemical compound with molecular formula C17H24O6 and molecular weight 324.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,7R,9R,10R,11S)-10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Also Known As: Deacetylanguidin, 15-Acetoxyscirpenol, Desacetylanguidine, 4-Deacetylanguidin, 15-Acetoxyscirpendiol
| Molecular Formula | C17H24O6 |
|---|---|
| Molecular Weight | 324.16 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.1573 |
| Heavy Atoms | 23 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 2623-22-5 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)(C3([C@@H]([C@H]([C@H](C34CO4)O2)O)O)C)COC(=O)C |
| InChIKey | IRXDUBNENLKYTC-DIRMQTSCSA-N |
Product Overview
Deacetylanguidin (CAS 2623-22-5), with molecular formula C17H24O6 and molecular weight 324.16 g/mol. IUPAC: [(2R,7R,9R,10R,11S)-10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate.
Chemical Property Profile of Deacetylanguidin
Property Insights of Deacetylanguidin
The XLogP value of -0.4 indicates that Deacetylanguidin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Deacetylanguidin. Following Lipinski's Rule of Five, Deacetylanguidin has 2 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 Deacetylanguidin?
The CAS number of Deacetylanguidin is 2623-22-5.
What is the molecular formula of Deacetylanguidin?
The molecular formula of Deacetylanguidin is C17H24O6.
What is the molecular weight of Deacetylanguidin?
The molecular weight of Deacetylanguidin is 324.16 g/mol.
Where can I buy Deacetylanguidin?
You can request a quote for Deacetylanguidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deacetylanguidin?
Yes, KEHONG BIO provides custom synthesis services for Deacetylanguidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.