8-Pentanoylneosolaniol
TL;DR: 8-Pentanoylneosolaniol (CAS 116163-74-7) is a chemical compound with molecular formula C24H34O9 and molecular weight 466.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] pentanoate
Also Known As: 8-Pentanoylneosolaniol, 8-n-Pentanoylneosolaniol, [(1S,2R,4S,7R,9R,10R,11S)-11-Acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] pentanoate, 4,15-Bis(acetyloxy)-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl pentanoate, Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-pentanoate, (3alpha,4beta,8alpha)-
| Molecular Formula | C24H34O9 |
|---|---|
| Molecular Weight | 466.22 g/mol |
| LogP | 1.8368 |
| Topological Polar Surface Area | 120.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 466.22028 |
| Heavy Atoms | 33 |
| Complexity | 861.9962 |
Chemical Identifiers
| CAS Number | 116163-74-7 |
|---|---|
| SMILES | CCCCC(=O)O[C@H]1C[C@]2([C@@H](C=C1C)O[C@@H]3[C@@H]([C@H]([C@]2(C34CO4)C)OC(=O)C)O)COC(=O)C |
Product Overview
8-Pentanoylneosolaniol (CAS 116163-74-7), with molecular formula C24H34O9 and molecular weight 466.22 g/mol. IUPAC: [(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] pentanoate.
Chemical Property Profile of 8-Pentanoylneosolaniol
Property Insights of 8-Pentanoylneosolaniol
The XLogP value of 1.8368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Pentanoylneosolaniol. The TPSA of 120.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Pentanoylneosolaniol. Following Lipinski's Rule of Five, 8-Pentanoylneosolaniol has 1 hydrogen bond donor(s) and 9 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 8-Pentanoylneosolaniol?
The CAS number of 8-Pentanoylneosolaniol is 116163-74-7.
What is the molecular formula of 8-Pentanoylneosolaniol?
The molecular formula of 8-Pentanoylneosolaniol is C24H34O9.
What is the molecular weight of 8-Pentanoylneosolaniol?
The molecular weight of 8-Pentanoylneosolaniol is 466.22 g/mol.
Where can I buy 8-Pentanoylneosolaniol?
You can request a quote for 8-Pentanoylneosolaniol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Pentanoylneosolaniol?
Yes, KEHONG BIO provides custom synthesis services for 8-Pentanoylneosolaniol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.