PR toxin
TL;DR: PR toxin (CAS 56299-00-4) is a chemical compound with molecular formula C17H20O6 and molecular weight 320.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1aR,2R,3R,3'S,3aR,5R,7bS)-3'-formyl-3,3',3a-trimethyl-6-oxospiro[2,3,4,7b-tetrahydro-1aH-naphtho[1,2-b]oxirene-5,2'-oxirane]-2-yl] acetate
Also Known As: PR Toxin, PR-toxin, Toxin PR, PR TOXINE, PR toxine [French]
| Molecular Formula | C17H20O6 |
|---|---|
| Molecular Weight | 320.13 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 85.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.12598 |
| Heavy Atoms | 23 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 56299-00-4 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@@H]2[C@@H](O2)C3=CC(=O)[C@@]4(C[C@]13C)[C@@](O4)(C)C=O)OC(=O)C |
| InChIKey | GSPFUBNBRPVALJ-VIEAGMIOSA-N |
Product Overview
PR toxin (CAS 56299-00-4), with molecular formula C17H20O6 and molecular weight 320.13 g/mol. IUPAC: [(1aR,2R,3R,3'S,3aR,5R,7bS)-3'-formyl-3,3',3a-trimethyl-6-oxospiro[2,3,4,7b-tetrahydro-1aH-naphtho[1,2-b]oxirene-5,2'-oxirane]-2-yl] acetate.
Chemical Property Profile of PR toxin
Property Insights of PR toxin
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PR toxin. The TPSA of 85.5 Ų falls within the moderate polarity range, balancing permeability and solubility for PR toxin. Following Lipinski's Rule of Five, PR toxin has 0 hydrogen bond donor(s) and 6 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 PR toxin?
The CAS number of PR toxin is 56299-00-4.
What is the molecular formula of PR toxin?
The molecular formula of PR toxin is C17H20O6.
What is the molecular weight of PR toxin?
The molecular weight of PR toxin is 320.13 g/mol.
Where can I buy PR toxin?
You can request a quote for PR toxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PR toxin?
Yes, KEHONG BIO provides custom synthesis services for PR toxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.