Bredinin 5'-monophosphate
TL;DR: Bredinin 5'-monophosphate (CAS 6315-77-1) is a chemical compound with molecular formula C9H14N3O9P and molecular weight 339.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: Bredinin 5'-monophosphate, Brd-MP, Mizoribine monophosphate, mizoribine 5'-monophosphate, bredinin monophosphate
| Molecular Formula | C9H14N3O9P |
|---|---|
| Molecular Weight | 339.05 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.04675 |
| Heavy Atoms | 22 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 6315-77-1 |
|---|---|
| SMILES | C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O)C(=O)N |
| InChIKey | KTKAFSMJDTUUAN-UUOKFMHZSA-N |
Product Overview
Bredinin 5'-monophosphate (CAS 6315-77-1), with molecular formula C9H14N3O9P and molecular weight 339.05 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of Bredinin 5'-monophosphate
Property Insights of Bredinin 5'-monophosphate
The XLogP value of -3.5 indicates that Bredinin 5'-monophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 198.0 Ų indicates high polarity, suggesting Bredinin 5'-monophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bredinin 5'-monophosphate has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bredinin 5'-monophosphate?
The CAS number of Bredinin 5'-monophosphate is 6315-77-1.
What is the molecular formula of Bredinin 5'-monophosphate?
The molecular formula of Bredinin 5'-monophosphate is C9H14N3O9P.
What is the molecular weight of Bredinin 5'-monophosphate?
The molecular weight of Bredinin 5'-monophosphate is 339.05 g/mol.
Where can I buy Bredinin 5'-monophosphate?
You can request a quote for Bredinin 5'-monophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bredinin 5'-monophosphate?
Yes, KEHONG BIO provides custom synthesis services for Bredinin 5'-monophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.