5,6-Dibromotubercidin
TL;DR: 5,6-Dibromotubercidin (CAS 78000-77-8) is a chemical compound with molecular formula C11H12Br2N4O4 and molecular weight 421.92 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-5,6-dibromopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 5,6-dibromotubercidin, 7,8-dibromotubercidin, 2-(4-Amino-5,6-dibromo-pyrrolo(2,3-d)pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol, 5,6-Dibromo-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine, methyl-[3-(oxiran-2-ylmethoxy)propyl]-bis(prop-1-en-2-yloxy)silane
| Molecular Formula | C11H12Br2N4O4 |
|---|---|
| Molecular Weight | 421.92 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 421.92252 |
| Heavy Atoms | 21 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 78000-77-8 |
|---|---|
| SMILES | C1=NC(=C2C(=C(N(C2=N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Br)Br)N |
| InChIKey | ATBZHTMJKTZNPL-BBBNYMBOSA-N |
Product Overview
5,6-Dibromotubercidin (CAS 78000-77-8), with molecular formula C11H12Br2N4O4 and molecular weight 421.92 g/mol. IUPAC: (2R,3R,4S,5R)-2-(4-amino-5,6-dibromopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 5,6-Dibromotubercidin
Property Insights of 5,6-Dibromotubercidin
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Dibromotubercidin. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-Dibromotubercidin. Following Lipinski's Rule of Five, 5,6-Dibromotubercidin 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 5,6-Dibromotubercidin?
The CAS number of 5,6-Dibromotubercidin is 78000-77-8.
What is the molecular formula of 5,6-Dibromotubercidin?
The molecular formula of 5,6-Dibromotubercidin is C11H12Br2N4O4.
What is the molecular weight of 5,6-Dibromotubercidin?
The molecular weight of 5,6-Dibromotubercidin is 421.92 g/mol.
Where can I buy 5,6-Dibromotubercidin?
You can request a quote for 5,6-Dibromotubercidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dibromotubercidin?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dibromotubercidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.