1,4-Dimethyl-3-carbamoylpyridinium
TL;DR: 1,4-Dimethyl-3-carbamoylpyridinium (CAS 12351-83-6) is a chemical compound with molecular formula C8H11ClN2O and molecular weight 186.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dimethylpyridin-1-ium-3-carboxamide chloride
Also Known As: 3-Carbamoyl-1,4-dimethylpyridin-1-ium chloride, 1,4-Dcpc, 1,4-Dimethyl-3-carbamoylpyridinium, 1,4-dimethylpyridinium chloride, 4-(4-chlorophenyl)-1H-pyrazole
| Molecular Formula | C8H11ClN2O |
|---|---|
| Molecular Weight | 186.06 g/mol |
| LogP | -3.07758 |
| Topological Polar Surface Area | 47.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.05598 |
| Heavy Atoms | 12 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 12351-83-6 |
|---|---|
| SMILES | CC1=C(C=[N+](C=C1)C)C(=O)N.[Cl-] |
| InChIKey | DFKMKEGJTOGPAX-UHFFFAOYSA-N |
Product Overview
1,4-Dimethyl-3-carbamoylpyridinium (CAS 12351-83-6), with molecular formula C8H11ClN2O and molecular weight 186.06 g/mol. IUPAC: 1,4-dimethylpyridin-1-ium-3-carboxamide chloride.
Chemical Property Profile of 1,4-Dimethyl-3-carbamoylpyridinium
Property Insights of 1,4-Dimethyl-3-carbamoylpyridinium
The XLogP value of -3.07758 indicates that 1,4-Dimethyl-3-carbamoylpyridinium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.0 Ų, 1,4-Dimethyl-3-carbamoylpyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dimethyl-3-carbamoylpyridinium has 1 hydrogen bond donor(s) and 2 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 1,4-Dimethyl-3-carbamoylpyridinium?
The CAS number of 1,4-Dimethyl-3-carbamoylpyridinium is 12351-83-6.
What is the molecular formula of 1,4-Dimethyl-3-carbamoylpyridinium?
The molecular formula of 1,4-Dimethyl-3-carbamoylpyridinium is C8H11ClN2O.
What is the molecular weight of 1,4-Dimethyl-3-carbamoylpyridinium?
The molecular weight of 1,4-Dimethyl-3-carbamoylpyridinium is 186.06 g/mol.
Where can I buy 1,4-Dimethyl-3-carbamoylpyridinium?
You can request a quote for 1,4-Dimethyl-3-carbamoylpyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethyl-3-carbamoylpyridinium?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethyl-3-carbamoylpyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.