4-Deacetylneosolaniol
TL;DR: 4-Deacetylneosolaniol (CAS 74833-39-9) is a chemical compound with molecular formula C17H24O7 and molecular weight 340.15 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)-4,10,11-trihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Also Known As: 4-Deacetylneosolaniol, 4-Desacetylneosolaniol, TMR 1, 4-DANS, 15-Acetyl-3-alpha,4-beta,8-alpha-trihydroxy-12,13-epoxytrichothec-9-ene
| Molecular Formula | C17H24O7 |
|---|---|
| Molecular Weight | 340.15 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.1522 |
| Heavy Atoms | 24 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 74833-39-9 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](C[C@@H]1O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)COC(=O)C |
| InChIKey | FCLYQYOJLQDQNA-BNWDXEGFSA-N |
Product Overview
4-Deacetylneosolaniol (CAS 74833-39-9), with molecular formula C17H24O7 and molecular weight 340.15 g/mol. IUPAC: [(1S,2R,4S,7R,9R,10R,11S,12S)-4,10,11-trihydroxy-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-Deacetylneosolaniol
Property Insights of 4-Deacetylneosolaniol
The XLogP value of -1.5 indicates that 4-Deacetylneosolaniol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Deacetylneosolaniol. Following Lipinski's Rule of Five, 4-Deacetylneosolaniol has 3 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-Deacetylneosolaniol?
The CAS number of 4-Deacetylneosolaniol is 74833-39-9.
What is the molecular formula of 4-Deacetylneosolaniol?
The molecular formula of 4-Deacetylneosolaniol is C17H24O7.
What is the molecular weight of 4-Deacetylneosolaniol?
The molecular weight of 4-Deacetylneosolaniol is 340.15 g/mol.
Where can I buy 4-Deacetylneosolaniol?
You can request a quote for 4-Deacetylneosolaniol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Deacetylneosolaniol?
Yes, KEHONG BIO provides custom synthesis services for 4-Deacetylneosolaniol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.