溴脱氧尿苷三磷酸
TL;DR: 溴脱氧尿苷三磷酸 (CAS 102212-99-7) is a chemical compound with molecular formula C9H14BrN2O14P3 and molecular weight 545.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴脱氧尿苷三磷酸
[[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: Brdutp, 5Br-dUTP, 5-BrdUTP, 5-BrdUTP sodium salt, Bromodeoxyuridine triphosphate
| Molecular Formula | C9H14BrN2O14P3 |
|---|---|
| Molecular Weight | 545.88 g/mol |
| LogP | -4.1 |
| Topological Polar Surface Area | 239.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 545.88416 |
| Heavy Atoms | 29 |
| Complexity | 857.0 |
Chemical Identifiers
| CAS Number | 102212-99-7 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
| InChIKey | BLQCQNFLEGAHPA-RRKCRQDMSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴脱氧尿苷三磷酸 (CAS 102212-99-7), with molecular formula C9H14BrN2O14P3 and molecular weight 545.88 g/mol. IUPAC: [[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of 溴脱氧尿苷三磷酸
Property Insights of 溴脱氧尿苷三磷酸
The XLogP value of -4.1 indicates that 溴脱氧尿苷三磷酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 239.0 Ų indicates high polarity, suggesting 溴脱氧尿苷三磷酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 溴脱氧尿苷三磷酸 has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 溴脱氧尿苷三磷酸?
The CAS number of 溴脱氧尿苷三磷酸 is 102212-99-7.
What is the molecular formula of 溴脱氧尿苷三磷酸?
The molecular formula of 溴脱氧尿苷三磷酸 is C9H14BrN2O14P3.
What is the molecular weight of 溴脱氧尿苷三磷酸?
The molecular weight of 溴脱氧尿苷三磷酸 is 545.88 g/mol.
Where can I buy 溴脱氧尿苷三磷酸?
You can request a quote for 溴脱氧尿苷三磷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴脱氧尿苷三磷酸?
Yes, KEHONG BIO provides custom synthesis services for 溴脱氧尿苷三磷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.