Adenosine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate)
TL;DR: Adenosine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) (CAS 13117-60-7) 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-[(4aR,6R,7R,7aS)-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: Monobutyryl cyclic AMP, N6-Butyryl-cAMP, N6-Monobutyryl-cAMP, N(6)-Monobutyryl cyclic AMP, N(6)-Butyryl cyclic AMP
| Molecular Formula | C14H18N5O7P |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.0944 |
| Heavy Atoms | 27 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 13117-60-7 |
|---|---|
| SMILES | CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O |
| InChIKey | NVGDLMUKSMHEQT-FRJWGUMJSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Adenosine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) (CAS 13117-60-7), with molecular formula C14H18N5O7P and molecular weight 399.09 g/mol. IUPAC: N-[9-[(4aR,6R,7R,7aS)-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, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate)
Property Insights of Adenosine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate)
The XLogP value of -1.9 indicates that Adenosine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.0 Ų indicates high polarity, suggesting Adenosine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) has 3 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, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate)?
The CAS number of Adenosine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) is 13117-60-7.
What is the molecular formula of Adenosine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate)?
The molecular formula of Adenosine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) is C14H18N5O7P.
What is the molecular weight of Adenosine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate)?
The molecular weight of Adenosine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) is 399.09 g/mol.
Where can I buy Adenosine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate)?
You can request a quote for Adenosine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenosine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate)?
Yes, KEHONG BIO provides custom synthesis services for Adenosine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.