5-Bromo-dUMP
TL;DR: 5-Bromo-dUMP (CAS 6666-38-2) is a chemical compound with molecular formula C9H12BrN2O8P and molecular weight 385.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: Bromodeoxyuridylate, 5-Bromo-dUMP, 5-Br-dUMP, (5Br-dUMP), 5-Bromo-2'-deoxyuridine-5'-monophosphate
| Molecular Formula | C9H12BrN2O8P |
|---|---|
| Molecular Weight | 385.95 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.95145 |
| Heavy Atoms | 21 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 6666-38-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O |
| InChIKey | LHLHVDBXXZVYJT-RRKCRQDMSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-dUMP (CAS 6666-38-2), with molecular formula C9H12BrN2O8P and molecular weight 385.95 g/mol. IUPAC: [(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of 5-Bromo-dUMP
Property Insights of 5-Bromo-dUMP
The XLogP value of -1.9 indicates that 5-Bromo-dUMP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting 5-Bromo-dUMP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Bromo-dUMP has 4 hydrogen bond donor(s) and 8 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-Bromo-dUMP?
The CAS number of 5-Bromo-dUMP is 6666-38-2.
What is the molecular formula of 5-Bromo-dUMP?
The molecular formula of 5-Bromo-dUMP is C9H12BrN2O8P.
What is the molecular weight of 5-Bromo-dUMP?
The molecular weight of 5-Bromo-dUMP is 385.95 g/mol.
Where can I buy 5-Bromo-dUMP?
You can request a quote for 5-Bromo-dUMP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-dUMP?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-dUMP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.