Scirpentriol
TL;DR: Scirpentriol (CAS 23261-58-7) is a chemical compound with molecular formula C15H22O5 and molecular weight 282.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,7R,9R,10R,11S,12S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10,11-diol
Also Known As: Scirpentriol, Anguidol, Scirpene-3,4,15-triol, ANGUIDINE DERIV SCIRPENTRIOL, KST-1A2936
| Molecular Formula | C15H22O5 |
|---|---|
| Molecular Weight | 282.15 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.14673 |
| Heavy Atoms | 20 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 23261-58-7 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)CO |
| InChIKey | PXEBOIUZEXXBGH-YLYOMACISA-N |
Product Overview
Scirpentriol (CAS 23261-58-7), with molecular formula C15H22O5 and molecular weight 282.15 g/mol. IUPAC: (1R,2R,7R,9R,10R,11S,12S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10,11-diol.
Chemical Property Profile of Scirpentriol
Property Insights of Scirpentriol
The XLogP value of -1.0 indicates that Scirpentriol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Scirpentriol. Following Lipinski's Rule of Five, Scirpentriol has 3 hydrogen bond donor(s) and 5 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 Scirpentriol?
The CAS number of Scirpentriol is 23261-58-7.
What is the molecular formula of Scirpentriol?
The molecular formula of Scirpentriol is C15H22O5.
What is the molecular weight of Scirpentriol?
The molecular weight of Scirpentriol is 282.15 g/mol.
Where can I buy Scirpentriol?
You can request a quote for Scirpentriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Scirpentriol?
Yes, KEHONG BIO provides custom synthesis services for Scirpentriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.