2-(1-Pentyl-1H-pyrazol-4-yl)adenosine
TL;DR: 2-(1-Pentyl-1H-pyrazol-4-yl)adenosine (CAS 313350-86-6) is a chemical compound with molecular formula C18H25N7O4 and molecular weight 403.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-2-[6-amino-2-(1-pentylpyrazol-4-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 2-(1-Pentyl-1H-pyrazol-4-yl)adenosine, Adenosine, 2-(1-pentyl-1H-pyrazol-4-yl)-, 2-(1-Pentyl-1H-pyrazole-4-yl)adenosine, Adenosine,2-(1-pentyl-1H-pyrazol-4-yl), J1.806.406E
| Molecular Formula | C18H25N7O4 |
|---|---|
| Molecular Weight | 403.20 g/mol |
| LogP | 0.0737 |
| Topological Polar Surface Area | 157.36 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.1968 |
| Heavy Atoms | 29 |
| Complexity | 987.90875 |
Chemical Identifiers
| CAS Number | 313350-86-6 |
|---|---|
| SMILES | CCCCCN1C=C(C=N1)C2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N |
Product Overview
2-(1-Pentyl-1H-pyrazol-4-yl)adenosine (CAS 313350-86-6), with molecular formula C18H25N7O4 and molecular weight 403.20 g/mol. IUPAC: (2R,3R,4S,5R)-2-[6-amino-2-(1-pentylpyrazol-4-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 2-(1-Pentyl-1H-pyrazol-4-yl)adenosine
Property Insights of 2-(1-Pentyl-1H-pyrazol-4-yl)adenosine
The XLogP value of 0.0737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Pentyl-1H-pyrazol-4-yl)adenosine. The TPSA of 157.36 Ų indicates high polarity, suggesting 2-(1-Pentyl-1H-pyrazol-4-yl)adenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(1-Pentyl-1H-pyrazol-4-yl)adenosine has 4 hydrogen bond donor(s) and 9 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-(1-Pentyl-1H-pyrazol-4-yl)adenosine?
The CAS number of 2-(1-Pentyl-1H-pyrazol-4-yl)adenosine is 313350-86-6.
What is the molecular formula of 2-(1-Pentyl-1H-pyrazol-4-yl)adenosine?
The molecular formula of 2-(1-Pentyl-1H-pyrazol-4-yl)adenosine is C18H25N7O4.
What is the molecular weight of 2-(1-Pentyl-1H-pyrazol-4-yl)adenosine?
The molecular weight of 2-(1-Pentyl-1H-pyrazol-4-yl)adenosine is 403.20 g/mol.
Where can I buy 2-(1-Pentyl-1H-pyrazol-4-yl)adenosine?
You can request a quote for 2-(1-Pentyl-1H-pyrazol-4-yl)adenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Pentyl-1H-pyrazol-4-yl)adenosine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Pentyl-1H-pyrazol-4-yl)adenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.