8-Propanoylneosolaniol
TL;DR: 8-Propanoylneosolaniol (CAS 111112-47-1) is a chemical compound with molecular formula C22H30O9 and molecular weight 438.19 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,12S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] propanoate
Also Known As: 8-Propanoylneosolaniol, 8-propionylneosolaniol, Neosolaniol 8-propionate, 4,15-Bis(acetyloxy)-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl propanoate, 4beta,15-Bis(acetyloxy)-3alpha-hydroxy-12,13-epoxytrichothec-9-en-8alpha-yl propanoate
| Molecular Formula | C22H30O9 |
|---|---|
| Molecular Weight | 438.19 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.189 |
| Heavy Atoms | 31 |
| Complexity | 837.0 |
Chemical Identifiers
| CAS Number | 111112-47-1 |
|---|---|
| SMILES | CCC(=O)O[C@H]1C[C@]2([C@@H](C=C1C)O[C@@H]3[C@@H]([C@H]([C@]2([C@]34CO4)C)OC(=O)C)O)COC(=O)C |
| InChIKey | ZSGWJLBSFZRJAT-MLXHEQMXSA-N |
Product Overview
8-Propanoylneosolaniol (CAS 111112-47-1), with molecular formula C22H30O9 and molecular weight 438.19 g/mol. IUPAC: [(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] propanoate.
Chemical Property Profile of 8-Propanoylneosolaniol
Property Insights of 8-Propanoylneosolaniol
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Propanoylneosolaniol. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Propanoylneosolaniol. Following Lipinski's Rule of Five, 8-Propanoylneosolaniol 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-Propanoylneosolaniol?
The CAS number of 8-Propanoylneosolaniol is 111112-47-1.
What is the molecular formula of 8-Propanoylneosolaniol?
The molecular formula of 8-Propanoylneosolaniol is C22H30O9.
What is the molecular weight of 8-Propanoylneosolaniol?
The molecular weight of 8-Propanoylneosolaniol is 438.19 g/mol.
Where can I buy 8-Propanoylneosolaniol?
You can request a quote for 8-Propanoylneosolaniol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Propanoylneosolaniol?
Yes, KEHONG BIO provides custom synthesis services for 8-Propanoylneosolaniol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.