5-Bromo-4-chloro-3-indolyltetraphospho-5'-adenosine
TL;DR: 5-Bromo-4-chloro-3-indolyltetraphospho-5'-adenosine (CAS 1780-78-5) is a chemical compound with molecular formula C18H20BrClN6O16P4 and molecular weight 813.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[(5-bromo-4-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
Also Known As: Bcip4A, 5-Bromo-4-chloro-3-indolyltetraphospho-5'-adenosine, 5-Bromo-4-chloro-3-indolyl tetraphospho-5'-adenosine, 5-bromo-4-chloro-3-indolyltetraphospho-5/'-adenosine, 5'-o-[{[{[({[(5-bromo-4-chloro-1h-indol-3-yl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
| Molecular Formula | C18H20BrClN6O16P4 |
|---|---|
| Molecular Weight | 813.88 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 330.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 12 |
| Exact Mass | 813.8758 |
| Heavy Atoms | 46 |
| Complexity | 1320.0 |
Chemical Identifiers
| CAS Number | 1780-78-5 |
|---|---|
| SMILES | C1=CC(=C(C2=C1NC=C2OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)Cl)Br |
| InChIKey | FUAAYYAFMCNVGN-YVLZZHOMSA-N |
Product Overview
5-Bromo-4-chloro-3-indolyltetraphospho-5'-adenosine (CAS 1780-78-5), with molecular formula C18H20BrClN6O16P4 and molecular weight 813.88 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[(5-bromo-4-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate.
Chemical Property Profile of 5-Bromo-4-chloro-3-indolyltetraphospho-5'-adenosine
Property Insights of 5-Bromo-4-chloro-3-indolyltetraphospho-5'-adenosine
The XLogP value of -3.0 indicates that 5-Bromo-4-chloro-3-indolyltetraphospho-5'-adenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 330.0 Ų indicates high polarity, suggesting 5-Bromo-4-chloro-3-indolyltetraphospho-5'-adenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Bromo-4-chloro-3-indolyltetraphospho-5'-adenosine has 8 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Bromo-4-chloro-3-indolyltetraphospho-5'-adenosine?
The CAS number of 5-Bromo-4-chloro-3-indolyltetraphospho-5'-adenosine is 1780-78-5.
What is the molecular formula of 5-Bromo-4-chloro-3-indolyltetraphospho-5'-adenosine?
The molecular formula of 5-Bromo-4-chloro-3-indolyltetraphospho-5'-adenosine is C18H20BrClN6O16P4.
What is the molecular weight of 5-Bromo-4-chloro-3-indolyltetraphospho-5'-adenosine?
The molecular weight of 5-Bromo-4-chloro-3-indolyltetraphospho-5'-adenosine is 813.88 g/mol.
Where can I buy 5-Bromo-4-chloro-3-indolyltetraphospho-5'-adenosine?
You can request a quote for 5-Bromo-4-chloro-3-indolyltetraphospho-5'-adenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-4-chloro-3-indolyltetraphospho-5'-adenosine?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-4-chloro-3-indolyltetraphospho-5'-adenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.