RefChem:318630
TL;DR: RefChem:318630 (CAS 66967-88-2) is a chemical compound with molecular formula C15H26BrN3O2 and molecular weight 359.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-triethylazanium bromide
Also Known As: Ro 2-2400, [3-(dimethylcarbamoyloxy)pyridin-2-yl]methyl-triethylazanium bromide, 2-Pyridinemethanaminium, 3-(((dimethylamino)carbonyl)oxy)-N,N,N-triethyl-, bromide, Ammonium, ((3-hydroxy-2-pyridyl)methyl)triethyl-, bromide, dimethylcarbamate (ester), ((3-Hydroxy-2-pyridyl)methyl)triethylammonium bromide dimethylcarbamate (ester)
| Molecular Formula | C15H26BrN3O2 |
|---|---|
| Molecular Weight | 359.12 g/mol |
| LogP | -0.48 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 359.12085 |
| Heavy Atoms | 21 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 66967-88-2 |
|---|---|
| SMILES | CC[N+](CC)(CC)CC1=C(C=CC=N1)OC(=O)N(C)C.[Br-] |
| InChIKey | QMBGVIARFVVBJW-UHFFFAOYSA-M |
Product Overview
RefChem:318630 (CAS 66967-88-2), with molecular formula C15H26BrN3O2 and molecular weight 359.12 g/mol. IUPAC: [3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-triethylazanium bromide.
Chemical Property Profile of RefChem:318630
Property Insights of RefChem:318630
The XLogP value of -0.48 indicates that RefChem:318630 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:318630 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318630 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:318630?
The CAS number of RefChem:318630 is 66967-88-2.
What is the molecular formula of RefChem:318630?
The molecular formula of RefChem:318630 is C15H26BrN3O2.
What is the molecular weight of RefChem:318630?
The molecular weight of RefChem:318630 is 359.12 g/mol.
Where can I buy RefChem:318630?
You can request a quote for RefChem:318630 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318630?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318630 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.