(E)-1-((6-chloropyridin-3-yl)methyl)-2-(nitromethylene)-hexahydropyrimidine
TL;DR: (E)-1-((6-chloropyridin-3-yl)methyl)-2-(nitromethylene)-hexahydropyrimidine (CAS 101336-64-5) is a chemical compound with molecular formula C11H13ClN4O2 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-1-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethylidene)-1,3-diazinane
Also Known As: 1-[(6-Chloro-3-pyridinyl)methyl]hexahydro-2-(nitromethylene)pyrimidine, 1-[(6-Chloro-3-pyridyl)methyl]-2-nitromethylene-hexahydropyrimidine, 1-[(6-Chloro-3-pyridyl)methyl]-2-nitromethylenehexahydropyrimidine, (2E)-1-[(6-chloropyridin-3-yl)methyl]-2-(nitromethylidene)-1,3-diazinane, 1-[(6-Chloro-3-pyridinyl)methyl]-2-(nitromethylene)hexahydropyrimidine
| Molecular Formula | C11H13ClN4O2 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 1.6059 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.0727 |
| Heavy Atoms | 18 |
| Complexity | 460.61594 |
Chemical Identifiers
| CAS Number | 101336-64-5 |
|---|---|
| SMILES | C1CN/C(=C\[N+](=O)[O-])/N(C1)CC2=CN=C(C=C2)Cl |
Product Overview
(E)-1-((6-chloropyridin-3-yl)methyl)-2-(nitromethylene)-hexahydropyrimidine (CAS 101336-64-5), with molecular formula C11H13ClN4O2 and molecular weight 268.07 g/mol. IUPAC: (2E)-1-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethylidene)-1,3-diazinane.
Chemical Property Profile of (E)-1-((6-chloropyridin-3-yl)methyl)-2-(nitromethylene)-hexahydropyrimidine
Property Insights of (E)-1-((6-chloropyridin-3-yl)methyl)-2-(nitromethylene)-hexahydropyrimidine
The XLogP value of 1.6059 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-((6-chloropyridin-3-yl)methyl)-2-(nitromethylene)-hexahydropyrimidine. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-((6-chloropyridin-3-yl)methyl)-2-(nitromethylene)-hexahydropyrimidine. Following Lipinski's Rule of Five, (E)-1-((6-chloropyridin-3-yl)methyl)-2-(nitromethylene)-hexahydropyrimidine has 1 hydrogen bond donor(s) and 5 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 (E)-1-((6-chloropyridin-3-yl)methyl)-2-(nitromethylene)-hexahydropyrimidine?
The CAS number of (E)-1-((6-chloropyridin-3-yl)methyl)-2-(nitromethylene)-hexahydropyrimidine is 101336-64-5.
What is the molecular formula of (E)-1-((6-chloropyridin-3-yl)methyl)-2-(nitromethylene)-hexahydropyrimidine?
The molecular formula of (E)-1-((6-chloropyridin-3-yl)methyl)-2-(nitromethylene)-hexahydropyrimidine is C11H13ClN4O2.
What is the molecular weight of (E)-1-((6-chloropyridin-3-yl)methyl)-2-(nitromethylene)-hexahydropyrimidine?
The molecular weight of (E)-1-((6-chloropyridin-3-yl)methyl)-2-(nitromethylene)-hexahydropyrimidine is 268.07 g/mol.
Where can I buy (E)-1-((6-chloropyridin-3-yl)methyl)-2-(nitromethylene)-hexahydropyrimidine?
You can request a quote for (E)-1-((6-chloropyridin-3-yl)methyl)-2-(nitromethylene)-hexahydropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-((6-chloropyridin-3-yl)methyl)-2-(nitromethylene)-hexahydropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-((6-chloropyridin-3-yl)methyl)-2-(nitromethylene)-hexahydropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.