Nitrobenzylthioinosine 5'-monophosphate
TL;DR: Nitrobenzylthioinosine 5'-monophosphate (CAS 65199-10-2) is a chemical compound with molecular formula C17H18N5O9PS and molecular weight 499.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
Also Known As: Nbmpr-P, Nitrobenzylthioinosine 5'-monophosphate, Nitrobenzylthioinosine 5 -phosphate, nitrobenzylthioinosine5'-monophosphate, Benzenamine,3-chloro-4-methoxy-2-methyl
| Molecular Formula | C17H18N5O9PS |
|---|---|
| Molecular Weight | 499.06 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 231.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.05627 |
| Heavy Atoms | 33 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 65199-10-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)[N+](=O)[O-] |
| InChIKey | RMYYPCIAJWYVHZ-LSCFUAHRSA-N |
Product Overview
Nitrobenzylthioinosine 5'-monophosphate (CAS 65199-10-2), with molecular formula C17H18N5O9PS and molecular weight 499.06 g/mol. IUPAC: [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of Nitrobenzylthioinosine 5'-monophosphate
Property Insights of Nitrobenzylthioinosine 5'-monophosphate
The XLogP value of -1.0 indicates that Nitrobenzylthioinosine 5'-monophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 231.0 Ų indicates high polarity, suggesting Nitrobenzylthioinosine 5'-monophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nitrobenzylthioinosine 5'-monophosphate has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nitrobenzylthioinosine 5'-monophosphate?
The CAS number of Nitrobenzylthioinosine 5'-monophosphate is 65199-10-2.
What is the molecular formula of Nitrobenzylthioinosine 5'-monophosphate?
The molecular formula of Nitrobenzylthioinosine 5'-monophosphate is C17H18N5O9PS.
What is the molecular weight of Nitrobenzylthioinosine 5'-monophosphate?
The molecular weight of Nitrobenzylthioinosine 5'-monophosphate is 499.06 g/mol.
Where can I buy Nitrobenzylthioinosine 5'-monophosphate?
You can request a quote for Nitrobenzylthioinosine 5'-monophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitrobenzylthioinosine 5'-monophosphate?
Yes, KEHONG BIO provides custom synthesis services for Nitrobenzylthioinosine 5'-monophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.