3-Acetoxyscirpene-4,15-diol
TL;DR: 3-Acetoxyscirpene-4,15-diol (CAS 70402-13-0) 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.
[(1S,2R,7R,9R,10R,11S,12S)-11-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate
Also Known As: 3-Acetoxyscirpene-4,15-diol, 3-ACETOXYSCIRPENOL, SCIRPENOL 3-ACETATE, (3-alpha,4-beta-)-3-Acetoxyscirpene-4,15-diol, 4,15-Dihydroxy-12,13-epoxytrichothec-9-en-3-yl acetate
| 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 | 70402-13-0 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)O)C)CO |
| InChIKey | NFFRTZSZVQIMDJ-OINWIYPRSA-N |
Product Overview
3-Acetoxyscirpene-4,15-diol (CAS 70402-13-0), with molecular formula C17H24O6 and molecular weight 324.16 g/mol. IUPAC: [(1S,2R,7R,9R,10R,11S,12S)-11-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate.
Chemical Property Profile of 3-Acetoxyscirpene-4,15-diol
Property Insights of 3-Acetoxyscirpene-4,15-diol
The XLogP value of -0.4 indicates that 3-Acetoxyscirpene-4,15-diol 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 3-Acetoxyscirpene-4,15-diol. Following Lipinski's Rule of Five, 3-Acetoxyscirpene-4,15-diol 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 3-Acetoxyscirpene-4,15-diol?
The CAS number of 3-Acetoxyscirpene-4,15-diol is 70402-13-0.
What is the molecular formula of 3-Acetoxyscirpene-4,15-diol?
The molecular formula of 3-Acetoxyscirpene-4,15-diol is C17H24O6.
What is the molecular weight of 3-Acetoxyscirpene-4,15-diol?
The molecular weight of 3-Acetoxyscirpene-4,15-diol is 324.16 g/mol.
Where can I buy 3-Acetoxyscirpene-4,15-diol?
You can request a quote for 3-Acetoxyscirpene-4,15-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetoxyscirpene-4,15-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetoxyscirpene-4,15-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.