ERK Inhibitor III
TL;DR: ERK Inhibitor III (CAS 331656-92-9) is a chemical compound with molecular formula C12H10N6O5 and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-2-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]guanidine
Also Known As: ERK Inhibitor III, BAS 00261975, 1-nitro-2-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]guanidine, N-Nitro-2-[[5-(3-nitrophenyl)-2-furanyl]methylene]hydrazinecarboximidamide
| Molecular Formula | C12H10N6O5 |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 1.2847 |
| Topological Polar Surface Area | 162.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.07126 |
| Heavy Atoms | 23 |
| Complexity | 796.7439 |
Chemical Identifiers
| CAS Number | 331656-92-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=NN=C(N)N[N+](=O)[O-] |
Product Overview
ERK Inhibitor III (CAS 331656-92-9), with molecular formula C12H10N6O5 and molecular weight 318.07 g/mol. IUPAC: 1-nitro-2-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]guanidine.
Chemical Property Profile of ERK Inhibitor III
Property Insights of ERK Inhibitor III
The XLogP value of 1.2847 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ERK Inhibitor III. The TPSA of 162.19 Ų indicates high polarity, suggesting ERK Inhibitor III may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ERK Inhibitor III has 2 hydrogen bond donor(s) and 7 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 ERK Inhibitor III?
The CAS number of ERK Inhibitor III is 331656-92-9.
What is the molecular formula of ERK Inhibitor III?
The molecular formula of ERK Inhibitor III is C12H10N6O5.
What is the molecular weight of ERK Inhibitor III?
The molecular weight of ERK Inhibitor III is 318.07 g/mol.
Where can I buy ERK Inhibitor III?
You can request a quote for ERK Inhibitor III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ERK Inhibitor III?
Yes, KEHONG BIO provides custom synthesis services for ERK Inhibitor III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.