Adenosine Impurity 54
TL;DR: Adenosine Impurity 54 (CAS 70253-67-7) is a chemical compound with molecular formula C14H18N5O7P and molecular weight 399.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[9-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)purin-6-yl]butanamide
Also Known As: N6-Monobutyryl-cAMP, Monobutyryl cyclic AMP, Adenosine Impurity 54, Bucladesine Impurity 2, N(6)-Monobutyryl cyclic AMP
| Molecular Formula | C14H18N5O7P |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | 0.339 |
| Topological Polar Surface Area | 157.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.0944 |
| Heavy Atoms | 27 |
| Complexity | 920.39325 |
Chemical Identifiers
| CAS Number | 70253-67-7 |
|---|---|
| SMILES | CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)C3C(C4C(O3)COP(=O)(O4)O)O |
Product Overview
Adenosine Impurity 54 (CAS 70253-67-7), with molecular formula C14H18N5O7P and molecular weight 399.09 g/mol. IUPAC: N-[9-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)purin-6-yl]butanamide.
Chemical Property Profile of Adenosine Impurity 54
Property Insights of Adenosine Impurity 54
The XLogP value of 0.339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adenosine Impurity 54. The TPSA of 157.92 Ų indicates high polarity, suggesting Adenosine Impurity 54 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosine Impurity 54 has 3 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 Adenosine Impurity 54?
The CAS number of Adenosine Impurity 54 is 70253-67-7.
What is the molecular formula of Adenosine Impurity 54?
The molecular formula of Adenosine Impurity 54 is C14H18N5O7P.
What is the molecular weight of Adenosine Impurity 54?
The molecular weight of Adenosine Impurity 54 is 399.09 g/mol.
Where can I buy Adenosine Impurity 54?
You can request a quote for Adenosine Impurity 54 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenosine Impurity 54?
Yes, KEHONG BIO provides custom synthesis services for Adenosine Impurity 54 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.