7-Deazanebularin
TL;DR: 7-Deazanebularin (CAS 16754-83-9) is a chemical compound with molecular formula C11H13N3O4 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol
Also Known As: 7-Deazanebularin, 7-Deazanebularine, 7 deazanebularin, Nebularine, 7-deaza-, 7beta-D-Ribofuranosylpyrrolo-(2,3-d)pyrimidine
| Molecular Formula | C11H13N3O4 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.0906 |
| Heavy Atoms | 18 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 16754-83-9 |
|---|---|
| SMILES | C1=CN(C2=NC=NC=C21)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
| InChIKey | AAVNIPCGOZFQJG-TURQNECASA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Deazanebularin (CAS 16754-83-9), with molecular formula C11H13N3O4 and molecular weight 251.09 g/mol. IUPAC: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol.
Chemical Property Profile of 7-Deazanebularin
Property Insights of 7-Deazanebularin
The XLogP value of -1.0 indicates that 7-Deazanebularin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Deazanebularin. Following Lipinski's Rule of Five, 7-Deazanebularin has 3 hydrogen bond donor(s) and 6 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 7-Deazanebularin?
The CAS number of 7-Deazanebularin is 16754-83-9.
What is the molecular formula of 7-Deazanebularin?
The molecular formula of 7-Deazanebularin is C11H13N3O4.
What is the molecular weight of 7-Deazanebularin?
The molecular weight of 7-Deazanebularin is 251.09 g/mol.
Where can I buy 7-Deazanebularin?
You can request a quote for 7-Deazanebularin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Deazanebularin?
Yes, KEHONG BIO provides custom synthesis services for 7-Deazanebularin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.