Adenosine Impurity 63
TL;DR: Adenosine Impurity 63 (CAS 15392-98-0) 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.
[6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
Also Known As: Adenosine Impurity 63, 2-Chloro-3,5-diiodobenzoic acid, 2'-O-Butyryladenosine 3',5'-cyclic phosphate DMAP, (4AR,6R,7R,7aR)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butyrate, (4aR,6R,7R,7aR)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxo-hexahydro-2lambda-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butanoate
| Molecular Formula | C14H18N5O7P |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | 0.5336 |
| Topological Polar Surface Area | 160.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.0944 |
| Heavy Atoms | 27 |
| Complexity | 920.39325 |
Chemical Identifiers
| CAS Number | 15392-98-0 |
|---|---|
| SMILES | CCCC(=O)OC1C2C(COP(=O)(O2)O)OC1N3C=NC4=C(N=CN=C43)N |
Product Overview
Adenosine Impurity 63 (CAS 15392-98-0), with molecular formula C14H18N5O7P and molecular weight 399.09 g/mol. IUPAC: [6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate.
Chemical Property Profile of Adenosine Impurity 63
Property Insights of Adenosine Impurity 63
The XLogP value of 0.5336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adenosine Impurity 63. The TPSA of 160.91 Ų indicates high polarity, suggesting Adenosine Impurity 63 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosine Impurity 63 has 2 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 Adenosine Impurity 63?
The CAS number of Adenosine Impurity 63 is 15392-98-0.
What is the molecular formula of Adenosine Impurity 63?
The molecular formula of Adenosine Impurity 63 is C14H18N5O7P.
What is the molecular weight of Adenosine Impurity 63?
The molecular weight of Adenosine Impurity 63 is 399.09 g/mol.
Where can I buy Adenosine Impurity 63?
You can request a quote for Adenosine Impurity 63 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenosine Impurity 63?
Yes, KEHONG BIO provides custom synthesis services for Adenosine Impurity 63 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.