4,15-Diacetoxyscirpen-3-ol
TL;DR: 4,15-Diacetoxyscirpen-3-ol (CAS 2270-40-8) is a chemical compound with molecular formula C19H26O7 and molecular weight 366.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,7R,9R,10R,11S,12R)-11-acetyloxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Also Known As: Diacetoxyscirpenol, Anguidine, Anguidin, Diazetoxyskirpenol, Anguidine, Anguidin
| Molecular Formula | C19H26O7 |
|---|---|
| Molecular Weight | 366.17 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.16785 |
| Heavy Atoms | 26 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 2270-40-8 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H]([C@]34CO4)O2)O)OC(=O)C)C)COC(=O)C |
| InChIKey | AUGQEEXBDZWUJY-ZLJUKNTDSA-N |
Product Overview
4,15-Diacetoxyscirpen-3-ol (CAS 2270-40-8), with molecular formula C19H26O7 and molecular weight 366.17 g/mol. IUPAC: [(1S,2R,7R,9R,10R,11S,12R)-11-acetyloxy-10-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 4,15-Diacetoxyscirpen-3-ol
Property Insights of 4,15-Diacetoxyscirpen-3-ol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,15-Diacetoxyscirpen-3-ol. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,15-Diacetoxyscirpen-3-ol. Following Lipinski's Rule of Five, 4,15-Diacetoxyscirpen-3-ol 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 4,15-Diacetoxyscirpen-3-ol?
The CAS number of 4,15-Diacetoxyscirpen-3-ol is 2270-40-8.
What is the molecular formula of 4,15-Diacetoxyscirpen-3-ol?
The molecular formula of 4,15-Diacetoxyscirpen-3-ol is C19H26O7.
What is the molecular weight of 4,15-Diacetoxyscirpen-3-ol?
The molecular weight of 4,15-Diacetoxyscirpen-3-ol is 366.17 g/mol.
Where can I buy 4,15-Diacetoxyscirpen-3-ol?
You can request a quote for 4,15-Diacetoxyscirpen-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,15-Diacetoxyscirpen-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 4,15-Diacetoxyscirpen-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.