RefChem:318634
TL;DR: RefChem:318634 (CAS 66967-92-8) is a chemical compound with molecular formula C12H20BrN3O2 and molecular weight 317.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-trimethylazanium bromide
Also Known As: Ro 2-1658, [3-(dimethylcarbamoyloxy)pyridin-2-yl]methyl-trimethylazanium bromide, Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, dimethylcarbamate (ester), ((3-Hydroxy-2-pyridyl)methyl)trimethylammonium bromide dimethylcarbamate (ester), (3-dimethylcarbamoyloxy-[2]pyridylmethyl)-trimethyl-ammonium, bromide
| Molecular Formula | C12H20BrN3O2 |
|---|---|
| Molecular Weight | 317.07 g/mol |
| LogP | -1.65 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.07388 |
| Heavy Atoms | 18 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 66967-92-8 |
|---|---|
| SMILES | CN(C)C(=O)OC1=C(N=CC=C1)C[N+](C)(C)C.[Br-] |
| InChIKey | RNWKAIUGROOQFF-UHFFFAOYSA-M |
Product Overview
RefChem:318634 (CAS 66967-92-8), with molecular formula C12H20BrN3O2 and molecular weight 317.07 g/mol. IUPAC: [3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-trimethylazanium bromide.
Chemical Property Profile of RefChem:318634
Property Insights of RefChem:318634
The XLogP value of -1.65 indicates that RefChem:318634 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.4 Ų, RefChem:318634 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318634 has 0 hydrogen bond donor(s) and 4 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:318634?
The CAS number of RefChem:318634 is 66967-92-8.
What is the molecular formula of RefChem:318634?
The molecular formula of RefChem:318634 is C12H20BrN3O2.
What is the molecular weight of RefChem:318634?
The molecular weight of RefChem:318634 is 317.07 g/mol.
Where can I buy RefChem:318634?
You can request a quote for RefChem:318634 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318634?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318634 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.