5-溴-5'-尿苷酸
TL;DR: 5-溴-5'-尿苷酸 (CAS 27988-64-3) is a chemical compound with molecular formula C9H12BrN2O9P and molecular weight 401.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-溴-5'-尿苷酸
[(2R,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: 5-Brump, 5-bromouridine 5'-monophosphate, Poly(5-bru), Poly(BU), 5-Bromo-UMP
| Molecular Formula | C9H12BrN2O9P |
|---|---|
| Molecular Weight | 401.95 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.94638 |
| Heavy Atoms | 22 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 27988-64-3 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)Br |
| InChIKey | IDPVUMJNEZFMNU-UAKXSSHOSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-溴-5'-尿苷酸 (CAS 27988-64-3), with molecular formula C9H12BrN2O9P and molecular weight 401.95 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of 5-溴-5'-尿苷酸
Property Insights of 5-溴-5'-尿苷酸
The XLogP value of -3.0 indicates that 5-溴-5'-尿苷酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting 5-溴-5'-尿苷酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-溴-5'-尿苷酸 has 5 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 5-溴-5'-尿苷酸?
The CAS number of 5-溴-5'-尿苷酸 is 27988-64-3.
What is the molecular formula of 5-溴-5'-尿苷酸?
The molecular formula of 5-溴-5'-尿苷酸 is C9H12BrN2O9P.
What is the molecular weight of 5-溴-5'-尿苷酸?
The molecular weight of 5-溴-5'-尿苷酸 is 401.95 g/mol.
Where can I buy 5-溴-5'-尿苷酸?
You can request a quote for 5-溴-5'-尿苷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-溴-5'-尿苷酸?
Yes, KEHONG BIO provides custom synthesis services for 5-溴-5'-尿苷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.