15-acetoxy-4beta-(chloroacetoxy)scirpen-3-one
TL;DR: 15-acetoxy-4beta-(chloroacetoxy)scirpen-3-one (CAS 79320-84-6) is a chemical compound with molecular formula C19H23ClO7 and molecular weight 398.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,7R,9S,11S,12S)-2-(acetyloxymethyl)-1,5-dimethyl-10-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 2-chloroacetate
Also Known As: 15-acetoxy-4beta-(chloroacetoxy)scirpen-3-one
| Molecular Formula | C19H23ClO7 |
|---|---|
| Molecular Weight | 398.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.11322 |
| Heavy Atoms | 27 |
| Complexity | 748.0 |
Chemical Identifiers
| CAS Number | 79320-84-6 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C(=O)[C@H]([C@@]34CO4)O2)OC(=O)CCl)C)COC(=O)C |
| InChIKey | XRACENWIFUNKDF-BOIQAPKLSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
15-acetoxy-4beta-(chloroacetoxy)scirpen-3-one (CAS 79320-84-6), with molecular formula C19H23ClO7 and molecular weight 398.11 g/mol. IUPAC: [(1S,2R,7R,9S,11S,12S)-2-(acetyloxymethyl)-1,5-dimethyl-10-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 2-chloroacetate.
Chemical Property Profile of 15-acetoxy-4beta-(chloroacetoxy)scirpen-3-one
Property Insights of 15-acetoxy-4beta-(chloroacetoxy)scirpen-3-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 15-acetoxy-4beta-(chloroacetoxy)scirpen-3-one. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 15-acetoxy-4beta-(chloroacetoxy)scirpen-3-one. Following Lipinski's Rule of Five, 15-acetoxy-4beta-(chloroacetoxy)scirpen-3-one has 0 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 15-acetoxy-4beta-(chloroacetoxy)scirpen-3-one?
The CAS number of 15-acetoxy-4beta-(chloroacetoxy)scirpen-3-one is 79320-84-6.
What is the molecular formula of 15-acetoxy-4beta-(chloroacetoxy)scirpen-3-one?
The molecular formula of 15-acetoxy-4beta-(chloroacetoxy)scirpen-3-one is C19H23ClO7.
What is the molecular weight of 15-acetoxy-4beta-(chloroacetoxy)scirpen-3-one?
The molecular weight of 15-acetoxy-4beta-(chloroacetoxy)scirpen-3-one is 398.11 g/mol.
Where can I buy 15-acetoxy-4beta-(chloroacetoxy)scirpen-3-one?
You can request a quote for 15-acetoxy-4beta-(chloroacetoxy)scirpen-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 15-acetoxy-4beta-(chloroacetoxy)scirpen-3-one?
Yes, KEHONG BIO provides custom synthesis services for 15-acetoxy-4beta-(chloroacetoxy)scirpen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.