Acetylanguidine
TL;DR: Acetylanguidine (CAS 4297-61-4) is a chemical compound with molecular formula C21H28O8 and molecular weight 408.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,9R,10R,11S)-10,11-diacetyloxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Also Known As: Acetylanguidine, Triacetoxyscirpenol, 3-Acetyl DAS, Anguidine, acetyl(triacetoxyscirpene), KST-1A4913
| Molecular Formula | C21H28O8 |
|---|---|
| Molecular Weight | 408.18 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.1784 |
| Heavy Atoms | 29 |
| Complexity | 790.0 |
Chemical Identifiers
| CAS Number | 4297-61-4 |
|---|---|
| SMILES | CC1=CC2[C@](CC1)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)OC(=O)C)OC(=O)C)C)COC(=O)C |
| InChIKey | YWQOKOBRSAAKTG-VRRMMCEESA-N |
Product Overview
Acetylanguidine (CAS 4297-61-4), with molecular formula C21H28O8 and molecular weight 408.18 g/mol. IUPAC: [(1S,2R,9R,10R,11S)-10,11-diacetyloxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate.
Chemical Property Profile of Acetylanguidine
Property Insights of Acetylanguidine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylanguidine. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetylanguidine. Following Lipinski's Rule of Five, Acetylanguidine has 0 hydrogen bond donor(s) and 8 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 Acetylanguidine?
The CAS number of Acetylanguidine is 4297-61-4.
What is the molecular formula of Acetylanguidine?
The molecular formula of Acetylanguidine is C21H28O8.
What is the molecular weight of Acetylanguidine?
The molecular weight of Acetylanguidine is 408.18 g/mol.
Where can I buy Acetylanguidine?
You can request a quote for Acetylanguidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylanguidine?
Yes, KEHONG BIO provides custom synthesis services for Acetylanguidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.