5-Bromo-2'-deoxy-4'-thiouridine
TL;DR: 5-Bromo-2'-deoxy-4'-thiouridine (CAS 134699-98-2) is a chemical compound with molecular formula C9H11BrN2O4S and molecular weight 321.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
Also Known As: 77Br-BTdU, 5-Bromo-2'-deoxy-4'-thiouridine, uridine, 5-bromo-2'-deoxy-4'-thio-, 5-Bromo-4 -O-thia-2 -deoxyuridine, 5-(77Br)Bromo-4 -thio-2 -deoxyuridine
| Molecular Formula | C9H11BrN2O4S |
|---|---|
| Molecular Weight | 321.96 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.96228 |
| Heavy Atoms | 17 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 134699-98-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](S[C@H]1N2C=C(C(=O)NC2=O)Br)CO)O |
| InChIKey | PQEKZSRSHRXMOS-RRKCRQDMSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-2'-deoxy-4'-thiouridine (CAS 134699-98-2), with molecular formula C9H11BrN2O4S and molecular weight 321.96 g/mol. IUPAC: 5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 5-Bromo-2'-deoxy-4'-thiouridine
Property Insights of 5-Bromo-2'-deoxy-4'-thiouridine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2'-deoxy-4'-thiouridine. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-2'-deoxy-4'-thiouridine. Following Lipinski's Rule of Five, 5-Bromo-2'-deoxy-4'-thiouridine 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 5-Bromo-2'-deoxy-4'-thiouridine?
The CAS number of 5-Bromo-2'-deoxy-4'-thiouridine is 134699-98-2.
What is the molecular formula of 5-Bromo-2'-deoxy-4'-thiouridine?
The molecular formula of 5-Bromo-2'-deoxy-4'-thiouridine is C9H11BrN2O4S.
What is the molecular weight of 5-Bromo-2'-deoxy-4'-thiouridine?
The molecular weight of 5-Bromo-2'-deoxy-4'-thiouridine is 321.96 g/mol.
Where can I buy 5-Bromo-2'-deoxy-4'-thiouridine?
You can request a quote for 5-Bromo-2'-deoxy-4'-thiouridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2'-deoxy-4'-thiouridine?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2'-deoxy-4'-thiouridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.