Dicytidylyl-(3'-5')-1,2-di(adenosin-N(6)-yl)ethane
TL;DR: Dicytidylyl-(3'-5')-1,2-di(adenosin-N(6)-yl)ethane (CAS 72506-76-4) is a chemical compound with molecular formula C17H17N3O3 and molecular weight 311.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[(6R,6aS)-4-hydroxy-6-methoxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enenitrile
Also Known As: Dicytidylyl-(3'-5')-1,2-di(adenosin-N(6)-yl)ethane, 2-Propenenitrile, 3-(5,10,11,11a-tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-1H-pyrrolo(2,1-c)(1,4)benzodiazepin-2-yl)-, (11R-(2(E),11alpha,11abeta))-, 3-(5,10,11,11a-Tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-1H-pyrrolo(2,1-c)(1,4)benzodiazepin-2-yl)-2-propenenitrile (11R-(2(E),11alpha,11abeta))-, (E)-3-[(6R,6aS)-4-hydroxy-6-methoxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enenitrile
| Molecular Formula | C17H17N3O3 |
|---|---|
| Molecular Weight | 311.13 g/mol |
| LogP | 2.2768 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.12698 |
| Heavy Atoms | 23 |
| Complexity | 761.08246 |
Chemical Identifiers
| CAS Number | 72506-76-4 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)C(=O)N3C=C(C[C@H]3[C@H](N2)OC)/C=C/C#N)O |
Product Overview
Dicytidylyl-(3'-5')-1,2-di(adenosin-N(6)-yl)ethane (CAS 72506-76-4), with molecular formula C17H17N3O3 and molecular weight 311.13 g/mol. IUPAC: (E)-3-[(6R,6aS)-4-hydroxy-6-methoxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enenitrile.
Chemical Property Profile of Dicytidylyl-(3'-5')-1,2-di(adenosin-N(6)-yl)ethane
Property Insights of Dicytidylyl-(3'-5')-1,2-di(adenosin-N(6)-yl)ethane
The XLogP value of 2.2768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dicytidylyl-(3'-5')-1,2-di(adenosin-N(6)-yl)ethane. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Dicytidylyl-(3'-5')-1,2-di(adenosin-N(6)-yl)ethane. Following Lipinski's Rule of Five, Dicytidylyl-(3'-5')-1,2-di(adenosin-N(6)-yl)ethane has 2 hydrogen bond donor(s) and 5 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 Dicytidylyl-(3'-5')-1,2-di(adenosin-N(6)-yl)ethane?
The CAS number of Dicytidylyl-(3'-5')-1,2-di(adenosin-N(6)-yl)ethane is 72506-76-4.
What is the molecular formula of Dicytidylyl-(3'-5')-1,2-di(adenosin-N(6)-yl)ethane?
The molecular formula of Dicytidylyl-(3'-5')-1,2-di(adenosin-N(6)-yl)ethane is C17H17N3O3.
What is the molecular weight of Dicytidylyl-(3'-5')-1,2-di(adenosin-N(6)-yl)ethane?
The molecular weight of Dicytidylyl-(3'-5')-1,2-di(adenosin-N(6)-yl)ethane is 311.13 g/mol.
Where can I buy Dicytidylyl-(3'-5')-1,2-di(adenosin-N(6)-yl)ethane?
You can request a quote for Dicytidylyl-(3'-5')-1,2-di(adenosin-N(6)-yl)ethane 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')-1,2-di(adenosin-N(6)-yl)ethane?
Yes, KEHONG BIO provides custom synthesis services for Dicytidylyl-(3'-5')-1,2-di(adenosin-N(6)-yl)ethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.