Plastatin
TL;DR: Plastatin (CAS 98296-22-1) is a chemical compound with molecular formula C16H19BrN5O12P2S+ and molecular weight 645.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4R,5R)-2-[5-(4-bromo-2,3-dioxobutyl)sulfanyl-1H-imidazo[2,1-f]purin-3-ium-3-yl]-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Also Known As: Plastatin, [(3R,4R,5R)-2-[5-(4-Bromo-2,3-dioxobutyl)sulfanyl-1H-imidazo[2,1-f]purin-3-ium-3-yl]-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate, (8,8'-Bi-1H-Naphtho(2,3-c)pyran)-1,1',6,6',9,9'-hexone, 7-amino-3,3',4,4'-tetrahydro-7',10,10'-trihydroxy-3,3'-dimethyl-, (R-(R*,R*))-, [(3R,4R,5R)-2-[5-(4-bromo-2,3-dioxobutyl)sulfanyl-9H-imidazo[2,1-f]purin-6-ium-3-yl]-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate, 5-[(4-Bromo-2,3-dioxobutyl)sulfanyl]-3-(2,5-di-O-phosphono-D-ribofuranosyl)-3,9-dihydroimidazo[2,1-i]purin-6-ium
| Molecular Formula | C16H19BrN5O12P2S+ |
|---|---|
| Molecular Weight | 645.94 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 272.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 645.941 |
| Heavy Atoms | 37 |
| Complexity | 974.0 |
Chemical Identifiers
| CAS Number | 98296-22-1 |
|---|---|
| SMILES | C1=CN2C(=N1)C3=C(N=C2SCC(=O)C(=O)CBr)[N+](=CN3)C4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)OP(=O)(O)O |
| InChIKey | UFGRPFGLXVTQEE-FJFSNTMWSA-O |
Product Overview
Plastatin (CAS 98296-22-1), with molecular formula C16H19BrN5O12P2S+ and molecular weight 645.94 g/mol. IUPAC: [(3R,4R,5R)-2-[5-(4-bromo-2,3-dioxobutyl)sulfanyl-1H-imidazo[2,1-f]purin-3-ium-3-yl]-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate.
Chemical Property Profile of Plastatin
Property Insights of Plastatin
The XLogP value of -2.2 indicates that Plastatin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 272.0 Ų indicates high polarity, suggesting Plastatin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Plastatin has 6 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Plastatin?
The CAS number of Plastatin is 98296-22-1.
What is the molecular formula of Plastatin?
The molecular formula of Plastatin is C16H19BrN5O12P2S+.
What is the molecular weight of Plastatin?
The molecular weight of Plastatin is 645.94 g/mol.
Where can I buy Plastatin?
You can request a quote for Plastatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Plastatin?
Yes, KEHONG BIO provides custom synthesis services for Plastatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.