2'-Bromo-2'-deoxyadenosine 5'-(dihydrogen phosphate)
TL;DR: 2'-Bromo-2'-deoxyadenosine 5'-(dihydrogen phosphate) (CAS 65456-05-5) is a chemical compound with molecular formula C10H13BrN5O6P and molecular weight 408.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-bromo-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: Poly(2'-bromo-2'-deoxyadenylic acid), 2'-bromo-2'-deoxyadenosine 5'-(dihydrogen phosphate), 9-(2-Bromo-2-deoxy-5-O-phosphonopentofuranosyl)-9H-purin-6-amine, [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-bromo-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
| Molecular Formula | C10H13BrN5O6P |
|---|---|
| Molecular Weight | 408.98 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.97867 |
| Heavy Atoms | 23 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 65456-05-5 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)Br)N |
| InChIKey | RIBXRFQXWKIHHC-QYYRPYCUSA-N |
Product Overview
2'-Bromo-2'-deoxyadenosine 5'-(dihydrogen phosphate) (CAS 65456-05-5), with molecular formula C10H13BrN5O6P and molecular weight 408.98 g/mol. IUPAC: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-bromo-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of 2'-Bromo-2'-deoxyadenosine 5'-(dihydrogen phosphate)
Property Insights of 2'-Bromo-2'-deoxyadenosine 5'-(dihydrogen phosphate)
The XLogP value of -2.1 indicates that 2'-Bromo-2'-deoxyadenosine 5'-(dihydrogen phosphate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting 2'-Bromo-2'-deoxyadenosine 5'-(dihydrogen phosphate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-Bromo-2'-deoxyadenosine 5'-(dihydrogen phosphate) has 4 hydrogen bond donor(s) and 10 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 2'-Bromo-2'-deoxyadenosine 5'-(dihydrogen phosphate)?
The CAS number of 2'-Bromo-2'-deoxyadenosine 5'-(dihydrogen phosphate) is 65456-05-5.
What is the molecular formula of 2'-Bromo-2'-deoxyadenosine 5'-(dihydrogen phosphate)?
The molecular formula of 2'-Bromo-2'-deoxyadenosine 5'-(dihydrogen phosphate) is C10H13BrN5O6P.
What is the molecular weight of 2'-Bromo-2'-deoxyadenosine 5'-(dihydrogen phosphate)?
The molecular weight of 2'-Bromo-2'-deoxyadenosine 5'-(dihydrogen phosphate) is 408.98 g/mol.
Where can I buy 2'-Bromo-2'-deoxyadenosine 5'-(dihydrogen phosphate)?
You can request a quote for 2'-Bromo-2'-deoxyadenosine 5'-(dihydrogen phosphate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Bromo-2'-deoxyadenosine 5'-(dihydrogen phosphate)?
Yes, KEHONG BIO provides custom synthesis services for 2'-Bromo-2'-deoxyadenosine 5'-(dihydrogen phosphate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.