3'-Deoxy-N-(1-oxobutyl)adenosine
TL;DR: 3'-Deoxy-N-(1-oxobutyl)adenosine (CAS 85368-95-2) is a chemical compound with molecular formula C14H19N5O4 and molecular weight 321.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]butanamide
Also Known As: N(6)-Butyrylcordycepin, 3'-Deoxy-N(6)-butyryladenosine, N6-BC, N(6)-Butyryl-3'-deoxyadenosine, 3'-Deoxy-N-(1-oxobutyl)adenosine
| Molecular Formula | C14H19N5O4 |
|---|---|
| Molecular Weight | 321.14 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.1437 |
| Heavy Atoms | 23 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 85368-95-2 |
|---|---|
| SMILES | CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H](C[C@H](O3)CO)O |
| InChIKey | KPXBIHMSYHYCTE-ATEUNZGCSA-N |
Product Overview
3'-Deoxy-N-(1-oxobutyl)adenosine (CAS 85368-95-2), with molecular formula C14H19N5O4 and molecular weight 321.14 g/mol. IUPAC: N-[9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]butanamide.
Chemical Property Profile of 3'-Deoxy-N-(1-oxobutyl)adenosine
Property Insights of 3'-Deoxy-N-(1-oxobutyl)adenosine
The XLogP value of -1.1 indicates that 3'-Deoxy-N-(1-oxobutyl)adenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Deoxy-N-(1-oxobutyl)adenosine. Following Lipinski's Rule of Five, 3'-Deoxy-N-(1-oxobutyl)adenosine has 3 hydrogen bond donor(s) and 7 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 3'-Deoxy-N-(1-oxobutyl)adenosine?
The CAS number of 3'-Deoxy-N-(1-oxobutyl)adenosine is 85368-95-2.
What is the molecular formula of 3'-Deoxy-N-(1-oxobutyl)adenosine?
The molecular formula of 3'-Deoxy-N-(1-oxobutyl)adenosine is C14H19N5O4.
What is the molecular weight of 3'-Deoxy-N-(1-oxobutyl)adenosine?
The molecular weight of 3'-Deoxy-N-(1-oxobutyl)adenosine is 321.14 g/mol.
Where can I buy 3'-Deoxy-N-(1-oxobutyl)adenosine?
You can request a quote for 3'-Deoxy-N-(1-oxobutyl)adenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Deoxy-N-(1-oxobutyl)adenosine?
Yes, KEHONG BIO provides custom synthesis services for 3'-Deoxy-N-(1-oxobutyl)adenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.