Neplanocin C
TL;DR: Neplanocin C (CAS 94523-98-5) is a chemical compound with molecular formula C11H13N5O4 and molecular weight 279.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,3S,4S,5R)-4-(6-aminopurin-9-yl)-1-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexane-2,3-diol
Also Known As: Neplanocin C, KST-1A9081, KST-1A9082, A-11079B2, (1s,2s,3s,4s,5r)-4-(6-amino-9h-purin-9-yl)-1-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexane-2,3-diol
| Molecular Formula | C11H13N5O4 |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.09674 |
| Heavy Atoms | 20 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 94523-98-5 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@]4([C@@H]3O4)CO)O)O)N |
| InChIKey | UTCNWBUUZPUVLH-GBSPZJCNSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neplanocin C (CAS 94523-98-5), with molecular formula C11H13N5O4 and molecular weight 279.10 g/mol. IUPAC: (1S,2S,3S,4S,5R)-4-(6-aminopurin-9-yl)-1-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexane-2,3-diol.
Chemical Property Profile of Neplanocin C
Property Insights of Neplanocin C
The XLogP value of -2.3 indicates that Neplanocin C is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting Neplanocin C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neplanocin C has 4 hydrogen bond donor(s) and 8 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 Neplanocin C?
The CAS number of Neplanocin C is 94523-98-5.
What is the molecular formula of Neplanocin C?
The molecular formula of Neplanocin C is C11H13N5O4.
What is the molecular weight of Neplanocin C?
The molecular weight of Neplanocin C is 279.10 g/mol.
Where can I buy Neplanocin C?
You can request a quote for Neplanocin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neplanocin C?
Yes, KEHONG BIO provides custom synthesis services for Neplanocin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.