6-Bromotubericidin
TL;DR: 6-Bromotubericidin (CAS 78000-56-3) is a chemical compound with molecular formula C11H13BrN4O4 and molecular weight 344.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-amino-6-bromopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 6-Bromotubericidin, (2R,3R,4S,5R)-2-{4-amino-6-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-5-(hydroxymethyl)oxolane-3,4-diol, 2-(4-amino-6-bromopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
| Molecular Formula | C11H13BrN4O4 |
|---|---|
| Molecular Weight | 344.01 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.01202 |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 78000-56-3 |
|---|---|
| SMILES | C1=C(N(C2=NC=NC(=C21)N)C3C(C(C(O3)CO)O)O)Br |
| InChIKey | KKSZEMHICOMLHV-UHFFFAOYSA-N |
Product Overview
6-Bromotubericidin (CAS 78000-56-3), with molecular formula C11H13BrN4O4 and molecular weight 344.01 g/mol. IUPAC: 2-(4-amino-6-bromopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 6-Bromotubericidin
Property Insights of 6-Bromotubericidin
The XLogP value of -0.3 indicates that 6-Bromotubericidin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Bromotubericidin. Following Lipinski's Rule of Five, 6-Bromotubericidin has 4 hydrogen bond donor(s) and 7 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 6-Bromotubericidin?
The CAS number of 6-Bromotubericidin is 78000-56-3.
What is the molecular formula of 6-Bromotubericidin?
The molecular formula of 6-Bromotubericidin is C11H13BrN4O4.
What is the molecular weight of 6-Bromotubericidin?
The molecular weight of 6-Bromotubericidin is 344.01 g/mol.
Where can I buy 6-Bromotubericidin?
You can request a quote for 6-Bromotubericidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromotubericidin?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromotubericidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.