Poly(2-aminodeoxyadenylate-5-bromodeoxyuridylate)
TL;DR: Poly(2-aminodeoxyadenylate-5-bromodeoxyuridylate) (CAS 104576-80-9) is a chemical compound with molecular formula C19H25BrN8O13P2 and molecular weight 714.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
Also Known As: Pada-5-bdu, Poly(2-aminodeoxyadenylate-5-bromodeoxyuridylate), [(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate, [(2R,3S,5R)-3-[[(2R,3S,5R)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,6-diaminopurin-9-yl)oxolan-2-yl]methoxyphosphonic acid, RefChem:175061
| Molecular Formula | C19H25BrN8O13P2 |
|---|---|
| Molecular Weight | 714.02 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 306.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 10 |
| Exact Mass | 714.01996 |
| Heavy Atoms | 43 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 104576-80-9 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O)N4C=NC5=C(N=C(N=C54)N)N)O |
| InChIKey | CVMVPEWQQYHVAR-LSUSWQKBSA-N |
Product Overview
Poly(2-aminodeoxyadenylate-5-bromodeoxyuridylate) (CAS 104576-80-9), with molecular formula C19H25BrN8O13P2 and molecular weight 714.02 g/mol. IUPAC: [(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate.
Chemical Property Profile of Poly(2-aminodeoxyadenylate-5-bromodeoxyuridylate)
Property Insights of Poly(2-aminodeoxyadenylate-5-bromodeoxyuridylate)
The XLogP value of -4.0 indicates that Poly(2-aminodeoxyadenylate-5-bromodeoxyuridylate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 306.0 Ų indicates high polarity, suggesting Poly(2-aminodeoxyadenylate-5-bromodeoxyuridylate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Poly(2-aminodeoxyadenylate-5-bromodeoxyuridylate) has 7 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Poly(2-aminodeoxyadenylate-5-bromodeoxyuridylate)?
The CAS number of Poly(2-aminodeoxyadenylate-5-bromodeoxyuridylate) is 104576-80-9.
What is the molecular formula of Poly(2-aminodeoxyadenylate-5-bromodeoxyuridylate)?
The molecular formula of Poly(2-aminodeoxyadenylate-5-bromodeoxyuridylate) is C19H25BrN8O13P2.
What is the molecular weight of Poly(2-aminodeoxyadenylate-5-bromodeoxyuridylate)?
The molecular weight of Poly(2-aminodeoxyadenylate-5-bromodeoxyuridylate) is 714.02 g/mol.
Where can I buy Poly(2-aminodeoxyadenylate-5-bromodeoxyuridylate)?
You can request a quote for Poly(2-aminodeoxyadenylate-5-bromodeoxyuridylate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Poly(2-aminodeoxyadenylate-5-bromodeoxyuridylate)?
Yes, KEHONG BIO provides custom synthesis services for Poly(2-aminodeoxyadenylate-5-bromodeoxyuridylate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.