RefChem:1053380
TL;DR: RefChem:1053380 (CAS 57831-86-4) is a chemical compound with molecular formula C12H20N6O2 and molecular weight 280.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-1-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]piperidin-4-amine
Also Known As: 1,4-Piperidinediamine, N(sup 4),N(sup 4)-dimethyl-N(sup 1)-((1-methyl-2-nitro-1H-imidazol-5-yl)methylene)-, RefChem:1053380, BRN 0682630
| Molecular Formula | C12H20N6O2 |
|---|---|
| Molecular Weight | 280.16 g/mol |
| LogP | 0.6882 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.16476 |
| Heavy Atoms | 20 |
| Complexity | 502.04587 |
Chemical Identifiers
| CAS Number | 57831-86-4 |
|---|---|
| SMILES | CN1C(=CN=C1[N+](=O)[O-])/C=N/N2CCC(CC2)N(C)C |
Product Overview
RefChem:1053380 (CAS 57831-86-4), with molecular formula C12H20N6O2 and molecular weight 280.16 g/mol. IUPAC: N,N-dimethyl-1-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]piperidin-4-amine.
Chemical Property Profile of RefChem:1053380
Property Insights of RefChem:1053380
The XLogP value of 0.6882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1053380. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1053380. Following Lipinski's Rule of Five, RefChem:1053380 has 0 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 RefChem:1053380?
The CAS number of RefChem:1053380 is 57831-86-4.
What is the molecular formula of RefChem:1053380?
The molecular formula of RefChem:1053380 is C12H20N6O2.
What is the molecular weight of RefChem:1053380?
The molecular weight of RefChem:1053380 is 280.16 g/mol.
Where can I buy RefChem:1053380?
You can request a quote for RefChem:1053380 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1053380?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1053380 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.