Neplanocin B
TL;DR: Neplanocin B (CAS 72877-49-7) 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.
(1R,2R,3S,4S,5S)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexane-2,4-diol
Also Known As: Neplanocin B, (-)-Neplanocin B, 3-(6-Amino-9H-purin-9-yl)-1-(hydroxymethyl)-6-oxabicyclo(3.1.0)hexane-2,4-diol, 3-(6-Amino-9H-purin-9-yl)-1-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexane-2,4-diol, 6-Oxabicyclo(3.1.0)hexane-2,4-diol, 3-(6-amino-9H-purin-9-yl)-1-(hydroxymethyl)-
| 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 | 72877-49-7 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@H]4[C@@]([C@@H]3O)(O4)CO)O)N |
| InChIKey | KFVDGQIFGNKMLJ-WELJQELGSA-N |
Product Overview
Neplanocin B (CAS 72877-49-7), with molecular formula C11H13N5O4 and molecular weight 279.10 g/mol. IUPAC: (1R,2R,3S,4S,5S)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexane-2,4-diol.
Chemical Property Profile of Neplanocin B
Property Insights of Neplanocin B
The XLogP value of -2.3 indicates that Neplanocin B 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 B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neplanocin B 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 B?
The CAS number of Neplanocin B is 72877-49-7.
What is the molecular formula of Neplanocin B?
The molecular formula of Neplanocin B is C11H13N5O4.
What is the molecular weight of Neplanocin B?
The molecular weight of Neplanocin B is 279.10 g/mol.
Where can I buy Neplanocin B?
You can request a quote for Neplanocin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neplanocin B?
Yes, KEHONG BIO provides custom synthesis services for Neplanocin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.