Adenosine, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate
TL;DR: Adenosine, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate (CAS 188-87-4) 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.
[(4aR,6R,7R,7aR)-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: 2'-O-Monobutyryl-cAMP, 2 -O-Monobutyryl cAMP, O2'-Monobutyryl Cyclic AMP, 2-Chloro-3,5-diiodobenzoic acid, KST-1A2313
| Molecular Formula | C14H18N5O7P |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.0944 |
| Heavy Atoms | 27 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 188-87-4 |
|---|---|
| SMILES | CCCC(=O)O[C@@H]1[C@H]2[C@@H](COP(=O)(O2)O)O[C@H]1N3C=NC4=C(N=CN=C43)N |
| InChIKey | XJMWDVLBPAAXPW-FRJWGUMJSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Adenosine, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate (CAS 188-87-4), with molecular formula C14H18N5O7P and molecular weight 399.09 g/mol. IUPAC: [(4aR,6R,7R,7aR)-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, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate
Property Insights of Adenosine, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate
The XLogP value of -1.2 indicates that Adenosine, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting Adenosine, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosine, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adenosine, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate?
The CAS number of Adenosine, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate is 188-87-4.
What is the molecular formula of Adenosine, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate?
The molecular formula of Adenosine, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate is C14H18N5O7P.
What is the molecular weight of Adenosine, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate?
The molecular weight of Adenosine, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate is 399.09 g/mol.
Where can I buy Adenosine, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate?
You can request a quote for Adenosine, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenosine, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate?
Yes, KEHONG BIO provides custom synthesis services for Adenosine, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.