Pancratistatin
TL;DR: Pancratistatin (CAS 96281-31-1) is a chemical compound with molecular formula C14H15NO8 and molecular weight 325.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,3S,4S,4aR)-1,2,3,4,7-pentahydroxy-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
Also Known As: Pancratistatin, KST-1A0006, (1R,2S,3S,4S,4aR)-1,2,3,4,7-pentahydroxy-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-one, (1r,2s,3s,4s,4ar)-1,2,3,4,7-pentahydroxy-1,3,4,4a,5,11b-hexahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2h)-one, (1R,2S,3S,4S,4aR,11bR)-1,2,3,4,7-pentahydroxy-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo [4,5-j]phenanthridin-6-one
| Molecular Formula | C14H15NO8 |
|---|---|
| Molecular Weight | 325.08 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 325.07977 |
| Heavy Atoms | 23 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 96281-31-1 |
|---|---|
| SMILES | C1OC2=C(O1)C(=C3C(=C2)C4[C@H]([C@@H]([C@@H]([C@H]([C@@H]4O)O)O)O)NC3=O)O |
| InChIKey | VREZDOWOLGNDPW-VYLNOMTASA-N |
Product Overview
Pancratistatin (CAS 96281-31-1), with molecular formula C14H15NO8 and molecular weight 325.08 g/mol. IUPAC: (1R,2S,3S,4S,4aR)-1,2,3,4,7-pentahydroxy-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-one.
Chemical Property Profile of Pancratistatin
Property Insights of Pancratistatin
The XLogP value of -1.6 indicates that Pancratistatin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.0 Ų indicates high polarity, suggesting Pancratistatin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pancratistatin has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pancratistatin?
The CAS number of Pancratistatin is 96281-31-1.
What is the molecular formula of Pancratistatin?
The molecular formula of Pancratistatin is C14H15NO8.
What is the molecular weight of Pancratistatin?
The molecular weight of Pancratistatin is 325.08 g/mol.
Where can I buy Pancratistatin?
You can request a quote for Pancratistatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pancratistatin?
Yes, KEHONG BIO provides custom synthesis services for Pancratistatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.