Dibutyryl cyclic 3',5'-cytidine monophosphate
TL;DR: Dibutyryl cyclic 3',5'-cytidine monophosphate (CAS 64649-87-2) is a chemical compound with molecular formula C17H24N3O9P and molecular weight 445.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aR,6R,7R,7aR)-6-[4-(butanoylamino)-2-oxopyrimidin-1-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: Dibutyryl cyclic-CMP, KST-1A7259, Dibutyryl cyclic 3',5'-cytidine monophosphate, Dibutyryl cyclic-3',5'-cytidine monophosphate, Dibutyrylcytidine 3 ,5 -cyclic phosphate
| Molecular Formula | C17H24N3O9P |
|---|---|
| Molecular Weight | 445.13 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.12503 |
| Heavy Atoms | 30 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 64649-87-2 |
|---|---|
| SMILES | CCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@H]3[C@H](O2)COP(=O)(O3)O)OC(=O)CCC |
| InChIKey | IPICHPMWYGQEKH-HMTTWLPMSA-N |
Product Overview
Dibutyryl cyclic 3',5'-cytidine monophosphate (CAS 64649-87-2), with molecular formula C17H24N3O9P and molecular weight 445.13 g/mol. IUPAC: [(4aR,6R,7R,7aR)-6-[4-(butanoylamino)-2-oxopyrimidin-1-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 Dibutyryl cyclic 3',5'-cytidine monophosphate
Property Insights of Dibutyryl cyclic 3',5'-cytidine monophosphate
The XLogP value of -0.9 indicates that Dibutyryl cyclic 3',5'-cytidine monophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 153.0 Ų indicates high polarity, suggesting Dibutyryl cyclic 3',5'-cytidine monophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dibutyryl cyclic 3',5'-cytidine monophosphate has 2 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 Dibutyryl cyclic 3',5'-cytidine monophosphate?
The CAS number of Dibutyryl cyclic 3',5'-cytidine monophosphate is 64649-87-2.
What is the molecular formula of Dibutyryl cyclic 3',5'-cytidine monophosphate?
The molecular formula of Dibutyryl cyclic 3',5'-cytidine monophosphate is C17H24N3O9P.
What is the molecular weight of Dibutyryl cyclic 3',5'-cytidine monophosphate?
The molecular weight of Dibutyryl cyclic 3',5'-cytidine monophosphate is 445.13 g/mol.
Where can I buy Dibutyryl cyclic 3',5'-cytidine monophosphate?
You can request a quote for Dibutyryl cyclic 3',5'-cytidine monophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyryl cyclic 3',5'-cytidine monophosphate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyryl cyclic 3',5'-cytidine monophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.