nicotinamide ribose 5'-O-(S-(3-bromo-2-oxopropyl))thiophosphate
TL;DR: nicotinamide ribose 5'-O-(S-(3-bromo-2-oxopropyl))thiophosphate (CAS 150035-59-9) is a chemical compound with molecular formula C14H18BrN2O8PS and molecular weight 483.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromo-2-oxopropyl)sulfanyl-[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate
Also Known As: Nmns-bop, Nicotinamide ribose 5'-O-(S-(3-bromo-2-oxopropyl))thiophosphate, (3-bromo-2-oxopropyl)sulfanyl-[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate, nicotinamide ribose 5/'-O-(S-(3-bromo-2-oxopropyl))thiophosphate, 3-(Aminocarbonyl)-1-(5-O-(((3-bromo-2-oxopropyl)thio)hydroxyphosphinyl)-beta-D-ribofuranosyl)pyridinium inner salt
| Molecular Formula | C14H18BrN2O8PS |
|---|---|
| Molecular Weight | 483.97 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 188.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 483.9705 |
| Heavy Atoms | 27 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 150035-59-9 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])SCC(=O)CBr)O)O)C(=O)N |
| InChIKey | QJQJPCXQNNYCCE-HKUMRIAESA-N |
Product Overview
nicotinamide ribose 5'-O-(S-(3-bromo-2-oxopropyl))thiophosphate (CAS 150035-59-9), with molecular formula C14H18BrN2O8PS and molecular weight 483.97 g/mol. IUPAC: (3-bromo-2-oxopropyl)sulfanyl-[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate.
Chemical Property Profile of nicotinamide ribose 5'-O-(S-(3-bromo-2-oxopropyl))thiophosphate
Property Insights of nicotinamide ribose 5'-O-(S-(3-bromo-2-oxopropyl))thiophosphate
The XLogP value of -2.0 indicates that nicotinamide ribose 5'-O-(S-(3-bromo-2-oxopropyl))thiophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 188.0 Ų indicates high polarity, suggesting nicotinamide ribose 5'-O-(S-(3-bromo-2-oxopropyl))thiophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, nicotinamide ribose 5'-O-(S-(3-bromo-2-oxopropyl))thiophosphate has 3 hydrogen bond donor(s) and 9 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 nicotinamide ribose 5'-O-(S-(3-bromo-2-oxopropyl))thiophosphate?
The CAS number of nicotinamide ribose 5'-O-(S-(3-bromo-2-oxopropyl))thiophosphate is 150035-59-9.
What is the molecular formula of nicotinamide ribose 5'-O-(S-(3-bromo-2-oxopropyl))thiophosphate?
The molecular formula of nicotinamide ribose 5'-O-(S-(3-bromo-2-oxopropyl))thiophosphate is C14H18BrN2O8PS.
What is the molecular weight of nicotinamide ribose 5'-O-(S-(3-bromo-2-oxopropyl))thiophosphate?
The molecular weight of nicotinamide ribose 5'-O-(S-(3-bromo-2-oxopropyl))thiophosphate is 483.97 g/mol.
Where can I buy nicotinamide ribose 5'-O-(S-(3-bromo-2-oxopropyl))thiophosphate?
You can request a quote for nicotinamide ribose 5'-O-(S-(3-bromo-2-oxopropyl))thiophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for nicotinamide ribose 5'-O-(S-(3-bromo-2-oxopropyl))thiophosphate?
Yes, KEHONG BIO provides custom synthesis services for nicotinamide ribose 5'-O-(S-(3-bromo-2-oxopropyl))thiophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.