溴化去氧尿苷
TL;DR: 溴化去氧尿苷 (CAS 59-14-3) is a chemical compound with molecular formula C9H11BrN2O5 and molecular weight 305.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴化去氧尿苷
5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: Broxuridine, 5-BROMO-2'-DEOXYURIDINE, Bromodeoxyuridine, 5-Bromodeoxyuridine, 5-BrdU
| Molecular Formula | C9H11BrN2O5 |
|---|---|
| Molecular Weight | 305.99 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.98514 |
| Heavy Atoms | 17 |
| Complexity | 386.0 |
| Melting Point | 365 to 187.2 °C |
| Solubility | 10 to 50 mg/mL at 72 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 59-14-3 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)CO)O |
| InChIKey | WOVKYSAHUYNSMH-RRKCRQDMSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴化去氧尿苷 (CAS 59-14-3), with molecular formula C9H11BrN2O5 and molecular weight 305.99 g/mol. IUPAC: 5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 溴化去氧尿苷
Property Insights of 溴化去氧尿苷
The XLogP value of -0.3 indicates that 溴化去氧尿苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 溴化去氧尿苷. Following Lipinski's Rule of Five, 溴化去氧尿苷 has 3 hydrogen bond donor(s) and 5 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 溴化去氧尿苷?
The CAS number of 溴化去氧尿苷 is 59-14-3.
What is the molecular formula of 溴化去氧尿苷?
The molecular formula of 溴化去氧尿苷 is C9H11BrN2O5.
What is the molecular weight of 溴化去氧尿苷?
The molecular weight of 溴化去氧尿苷 is 305.99 g/mol.
Where can I buy 溴化去氧尿苷?
You can request a quote for 溴化去氧尿苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴化去氧尿苷?
Yes, KEHONG BIO provides custom synthesis services for 溴化去氧尿苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.