3'-(1-Butylphosphoryl)adenosine
TL;DR: 3'-(1-Butylphosphoryl)adenosine (CAS 52278-63-4) is a chemical compound with molecular formula C14H22N5O7P and molecular weight 403.13 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)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] butyl hydrogen phosphate
Also Known As: B-Factor, 3'-(1-Butylphosphoryl)adenosine, 3'-Adenylic acid, monobutyl ester, 3'-Adenylic acid,monobutyl ester, 3'-O-[Butoxy(hydroxy)phosphoryl]adenosine
| Molecular Formula | C14H22N5O7P |
|---|---|
| Molecular Weight | 403.13 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.12567 |
| Heavy Atoms | 27 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 52278-63-4 |
|---|---|
| SMILES | CCCCOP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)N)CO |
| InChIKey | RVVKQBUWQFREIE-IDTAVKCVSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3'-(1-Butylphosphoryl)adenosine (CAS 52278-63-4), with molecular formula C14H22N5O7P and molecular weight 403.13 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] butyl hydrogen phosphate.
Chemical Property Profile of 3'-(1-Butylphosphoryl)adenosine
Property Insights of 3'-(1-Butylphosphoryl)adenosine
The XLogP value of -0.9 indicates that 3'-(1-Butylphosphoryl)adenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.0 Ų indicates high polarity, suggesting 3'-(1-Butylphosphoryl)adenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-(1-Butylphosphoryl)adenosine has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3'-(1-Butylphosphoryl)adenosine?
The CAS number of 3'-(1-Butylphosphoryl)adenosine is 52278-63-4.
What is the molecular formula of 3'-(1-Butylphosphoryl)adenosine?
The molecular formula of 3'-(1-Butylphosphoryl)adenosine is C14H22N5O7P.
What is the molecular weight of 3'-(1-Butylphosphoryl)adenosine?
The molecular weight of 3'-(1-Butylphosphoryl)adenosine is 403.13 g/mol.
Where can I buy 3'-(1-Butylphosphoryl)adenosine?
You can request a quote for 3'-(1-Butylphosphoryl)adenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-(1-Butylphosphoryl)adenosine?
Yes, KEHONG BIO provides custom synthesis services for 3'-(1-Butylphosphoryl)adenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.