Dicytidylyl-(3'-5')-1,4-di(adenosin-N(6)-yl)butane
TL;DR: Dicytidylyl-(3'-5')-1,4-di(adenosin-N(6)-yl)butane (CAS 72490-85-8) is a chemical compound with molecular formula C42H54N16O16 and molecular weight 1038.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(2R,3R,4S,5R)-5-[[(2R,3S,4R,5R)-5-[6-[4-[[9-[(2R,3R,4S,5R)-5-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxymethyl]-3,4-dihydroxyoxolan-2-yl]purin-6-yl]amino]butylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
Also Known As: Sid 769423, KST-1B9337, Dicytidylyl-(3'-5')-1,4-di(adenosin-N(6)-yl)butane, Adenosine, N,N'-1,4-butanediylbis(cytidylyl-(3'-5'))-, 4-amino-1-[(2R,3R,4S,5R)-5-[[(2R,3S,4R,5R)-5-[6-[4-[[9-[(2R,3R,4S,5R)-5-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxymethyl]-3,4-dihydroxyoxolan-2-yl]purin-6-yl]amino]butylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
| Molecular Formula | C42H54N16O16 |
|---|---|
| Molecular Weight | 1038.39 g/mol |
| LogP | -7.5 |
| Topological Polar Surface Area | 446.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 19 |
| Exact Mass | 1038.3904 |
| Heavy Atoms | 74 |
| Complexity | 1970.0 |
Chemical Identifiers
| CAS Number | 72490-85-8 |
|---|---|
| SMILES | C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)NCCCCNC6=C7C(=NC=N6)N(C=N7)[C@H]8[C@@H]([C@@H]([C@H](O8)COC[C@@H]9[C@H]([C@H]([C@@H](O9)N1C=CC(=NC1=O)N)O)O)O)O)O)O)O)O |
| InChIKey | HEGYCMRRYUEVJJ-YMRSITQASA-N |
Product Overview
Dicytidylyl-(3'-5')-1,4-di(adenosin-N(6)-yl)butane (CAS 72490-85-8), with molecular formula C42H54N16O16 and molecular weight 1038.39 g/mol. IUPAC: 4-amino-1-[(2R,3R,4S,5R)-5-[[(2R,3S,4R,5R)-5-[6-[4-[[9-[(2R,3R,4S,5R)-5-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxymethyl]-3,4-dihydroxyoxolan-2-yl]purin-6-yl]amino]butylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of Dicytidylyl-(3'-5')-1,4-di(adenosin-N(6)-yl)butane
Property Insights of Dicytidylyl-(3'-5')-1,4-di(adenosin-N(6)-yl)butane
The XLogP value of -7.5 indicates that Dicytidylyl-(3'-5')-1,4-di(adenosin-N(6)-yl)butane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 446.0 Ų indicates high polarity, suggesting Dicytidylyl-(3'-5')-1,4-di(adenosin-N(6)-yl)butane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dicytidylyl-(3'-5')-1,4-di(adenosin-N(6)-yl)butane has 12 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dicytidylyl-(3'-5')-1,4-di(adenosin-N(6)-yl)butane?
The CAS number of Dicytidylyl-(3'-5')-1,4-di(adenosin-N(6)-yl)butane is 72490-85-8.
What is the molecular formula of Dicytidylyl-(3'-5')-1,4-di(adenosin-N(6)-yl)butane?
The molecular formula of Dicytidylyl-(3'-5')-1,4-di(adenosin-N(6)-yl)butane is C42H54N16O16.
What is the molecular weight of Dicytidylyl-(3'-5')-1,4-di(adenosin-N(6)-yl)butane?
The molecular weight of Dicytidylyl-(3'-5')-1,4-di(adenosin-N(6)-yl)butane is 1038.39 g/mol.
Where can I buy Dicytidylyl-(3'-5')-1,4-di(adenosin-N(6)-yl)butane?
You can request a quote for Dicytidylyl-(3'-5')-1,4-di(adenosin-N(6)-yl)butane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dicytidylyl-(3'-5')-1,4-di(adenosin-N(6)-yl)butane?
Yes, KEHONG BIO provides custom synthesis services for Dicytidylyl-(3'-5')-1,4-di(adenosin-N(6)-yl)butane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.