Bromotubercidin
TL;DR: Bromotubercidin (CAS 21193-80-6) 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.
(2R,3R,4S,5R)-2-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 5-Bromotubercidin, Bromotubercidin, 5-Bromotubericidin, Tubercidin, 5-bromo-, 5- Bromotubercidin
| Molecular Formula | C11H13BrN4O4 |
|---|---|
| Molecular Weight | 344.01 g/mol |
| LogP | -0.7 |
| 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 | 21193-80-6 |
|---|---|
| SMILES | C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)Br |
| InChIKey | ZWTPRQXZXQEKFT-IOSLPCCCSA-N |
Product Overview
Bromotubercidin (CAS 21193-80-6), with molecular formula C11H13BrN4O4 and molecular weight 344.01 g/mol. IUPAC: (2R,3R,4S,5R)-2-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of Bromotubercidin
Property Insights of Bromotubercidin
The XLogP value of -0.7 indicates that Bromotubercidin 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 Bromotubercidin. Following Lipinski's Rule of Five, Bromotubercidin 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 Bromotubercidin?
The CAS number of Bromotubercidin is 21193-80-6.
What is the molecular formula of Bromotubercidin?
The molecular formula of Bromotubercidin is C11H13BrN4O4.
What is the molecular weight of Bromotubercidin?
The molecular weight of Bromotubercidin is 344.01 g/mol.
Where can I buy Bromotubercidin?
You can request a quote for Bromotubercidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromotubercidin?
Yes, KEHONG BIO provides custom synthesis services for Bromotubercidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.