3X-0859
TL;DR: 3X-0859 (CAS 865660-27-1) is a chemical compound with molecular formula C18H24N4O5 and molecular weight 376.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-(dimethylaminomethylidenecarbamoyl)piperidin-1-yl]methyl]-3-nitrobenzoate
Also Known As: 3X-0859, methyl 2-[[3-(dimethylaminomethylidenecarbamoyl)piperidin-1-yl]methyl]-3-nitrobenzoate, methyl 2-{[3-({[(E)-(dimethylamino)methylidene]amino}carbonyl)piperidino]methyl}-3-nitrobenzenecarboxylate, Methyl 2-((3-(((dimethylamino)methylene)carbamoyl)piperidin-1-yl)methyl)-3-nitrobenzoate, Methyl 2-[[3-(dimethylaminomethylidenecarbamoyl)-1-piperidyl]methyl]-3-nitro-benzoate
| Molecular Formula | C18H24N4O5 |
|---|---|
| Molecular Weight | 376.17 g/mol |
| LogP | 1.7099 |
| Topological Polar Surface Area | 105.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.17468 |
| Heavy Atoms | 27 |
| Complexity | 747.2676 |
Chemical Identifiers
| CAS Number | 865660-27-1 |
|---|---|
| SMILES | CN(C)C=NC(=O)C1CCCN(C1)CC2=C(C=CC=C2[N+](=O)[O-])C(=O)OC |
Product Overview
3X-0859 (CAS 865660-27-1), with molecular formula C18H24N4O5 and molecular weight 376.17 g/mol. IUPAC: methyl 2-[[3-(dimethylaminomethylidenecarbamoyl)piperidin-1-yl]methyl]-3-nitrobenzoate.
Chemical Property Profile of 3X-0859
Property Insights of 3X-0859
The XLogP value of 1.7099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3X-0859. The TPSA of 105.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3X-0859. Following Lipinski's Rule of Five, 3X-0859 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 3X-0859?
The CAS number of 3X-0859 is 865660-27-1.
What is the molecular formula of 3X-0859?
The molecular formula of 3X-0859 is C18H24N4O5.
What is the molecular weight of 3X-0859?
The molecular weight of 3X-0859 is 376.17 g/mol.
Where can I buy 3X-0859?
You can request a quote for 3X-0859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3X-0859?
Yes, KEHONG BIO provides custom synthesis services for 3X-0859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.