3-Deazaneplanocin
TL;DR: 3-Deazaneplanocin (CAS 102052-95-9) is a chemical compound with molecular formula C12H14N4O3 and molecular weight 262.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
Also Known As: 3-Deazaneplanocin, 3-Deazaneplanocin A, DZNep, c^Neplanocin A, 3-Deaza-neplanocin
| Molecular Formula | C12H14N4O3 |
|---|---|
| Molecular Weight | 262.11 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.1066 |
| Heavy Atoms | 19 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 102052-95-9 |
|---|---|
| SMILES | C1=CN=C(C2=C1N(C=N2)[C@@H]3C=C([C@H]([C@H]3O)O)CO)N |
| InChIKey | OMKHWTRUYNAGFG-IEBDPFPHSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Deazaneplanocin (CAS 102052-95-9), with molecular formula C12H14N4O3 and molecular weight 262.11 g/mol. IUPAC: (1S,2R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol.
Chemical Property Profile of 3-Deazaneplanocin
Property Insights of 3-Deazaneplanocin
The XLogP value of -1.7 indicates that 3-Deazaneplanocin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Deazaneplanocin. Following Lipinski's Rule of Five, 3-Deazaneplanocin has 4 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 3-Deazaneplanocin?
The CAS number of 3-Deazaneplanocin is 102052-95-9.
What is the molecular formula of 3-Deazaneplanocin?
The molecular formula of 3-Deazaneplanocin is C12H14N4O3.
What is the molecular weight of 3-Deazaneplanocin?
The molecular weight of 3-Deazaneplanocin is 262.11 g/mol.
Where can I buy 3-Deazaneplanocin?
You can request a quote for 3-Deazaneplanocin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Deazaneplanocin?
Yes, KEHONG BIO provides custom synthesis services for 3-Deazaneplanocin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.