Dineca
TL;DR: Dineca (CAS 61014-07-1) is a chemical compound with molecular formula C12H14N8O8 and molecular weight 398.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5S)-2-(6-aminopurin-9-yl)-5-(ethylcarbamoyl)-4-nitrooxyoxolan-3-yl] nitrate
Also Known As: Dineca, 2',3'-Dinitro-neca, B-744-99, 2',3'-Di-O-nitro-(5'-N-ethylcarboxamido)adenosine, 2',3'-Di-O-nitroadenosine-5'-(N-ethylcarboxamide)
| Molecular Formula | C12H14N8O8 |
|---|---|
| Molecular Weight | 398.09 g/mol |
| LogP | -1.4042 |
| Topological Polar Surface Area | 212.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.09344 |
| Heavy Atoms | 28 |
| Complexity | 918.1618 |
Chemical Identifiers
| CAS Number | 61014-07-1 |
|---|---|
| SMILES | CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O[N+](=O)[O-])O[N+](=O)[O-] |
Product Overview
Dineca (CAS 61014-07-1), with molecular formula C12H14N8O8 and molecular weight 398.09 g/mol. IUPAC: [(2R,3R,4R,5S)-2-(6-aminopurin-9-yl)-5-(ethylcarbamoyl)-4-nitrooxyoxolan-3-yl] nitrate.
Chemical Property Profile of Dineca
Property Insights of Dineca
The XLogP value of -1.4042 indicates that Dineca is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 212.69 Ų indicates high polarity, suggesting Dineca may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dineca has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dineca?
The CAS number of Dineca is 61014-07-1.
What is the molecular formula of Dineca?
The molecular formula of Dineca is C12H14N8O8.
What is the molecular weight of Dineca?
The molecular weight of Dineca is 398.09 g/mol.
Where can I buy Dineca?
You can request a quote for Dineca directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dineca?
Yes, KEHONG BIO provides custom synthesis services for Dineca and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.