5'-Adenylic acid, 2-(pentylthio)-
TL;DR: 5'-Adenylic acid, 2-(pentylthio)- (CAS 58576-75-3) is a chemical compound with molecular formula C15H24N5O7PS and molecular weight 449.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-(6-amino-2-pentylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: 5'-Adenylic acid, 2-(pentylthio)-, Pyrrolidine,1-(1,4-pentadienyl), 2-(Pentylthio)adenosine 5 -phosphoric acid, 2-(Pentylsulfanyl)adenosine 5'-(dihydrogen phosphate), ((2R,3S,4R,5R)-5-(6-Amino-2-(pentylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
| Molecular Formula | C15H24N5O7PS |
|---|---|
| Molecular Weight | 449.11 g/mol |
| LogP | 0.4193 |
| Topological Polar Surface Area | 186.07 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 449.1134 |
| Heavy Atoms | 29 |
| Complexity | 893.3076 |
Chemical Identifiers
| CAS Number | 58576-75-3 |
|---|---|
| SMILES | CCCCCSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N |
Product Overview
5'-Adenylic acid, 2-(pentylthio)- (CAS 58576-75-3), with molecular formula C15H24N5O7PS and molecular weight 449.11 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-amino-2-pentylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of 5'-Adenylic acid, 2-(pentylthio)-
Property Insights of 5'-Adenylic acid, 2-(pentylthio)-
The XLogP value of 0.4193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-Adenylic acid, 2-(pentylthio)-. The TPSA of 186.07 Ų indicates high polarity, suggesting 5'-Adenylic acid, 2-(pentylthio)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'-Adenylic acid, 2-(pentylthio)- has 5 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 5'-Adenylic acid, 2-(pentylthio)-?
The CAS number of 5'-Adenylic acid, 2-(pentylthio)- is 58576-75-3.
What is the molecular formula of 5'-Adenylic acid, 2-(pentylthio)-?
The molecular formula of 5'-Adenylic acid, 2-(pentylthio)- is C15H24N5O7PS.
What is the molecular weight of 5'-Adenylic acid, 2-(pentylthio)-?
The molecular weight of 5'-Adenylic acid, 2-(pentylthio)- is 449.11 g/mol.
Where can I buy 5'-Adenylic acid, 2-(pentylthio)-?
You can request a quote for 5'-Adenylic acid, 2-(pentylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-Adenylic acid, 2-(pentylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 5'-Adenylic acid, 2-(pentylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.