RefChem:318858
TL;DR: RefChem:318858 (CAS 66967-91-7) is a chemical compound with molecular formula C16H28BrN3O2 and molecular weight 373.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[di(propan-2-yl)carbamoyloxy]-2-pyridinyl]methyl-trimethylazanium bromide
Also Known As: Ro 2-2043, (3-Hydroxy-2-pyridyl)methyltrimethylammonium bromide diisopropylcarbamate (ester), Ammonium, (3-hydroxy-2-pyridyl)methyltrimethyl-, bromide, diisopropylcarbamate (ester), [3-[Di(propan-2-yl)carbamoyloxy]pyridin-2-yl]methyl-trimethylazaniumbromide, (3-{[Di(propan-2-yl)carbamoyl]oxy}pyridin-2-yl)-N,N,N-trimethylmethanaminium bromide
| Molecular Formula | C16H28BrN3O2 |
|---|---|
| Molecular Weight | 373.14 g/mol |
| LogP | -0.09 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.1365 |
| Heavy Atoms | 22 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 66967-91-7 |
|---|---|
| SMILES | CC(C)N(C(C)C)C(=O)OC1=C(N=CC=C1)C[N+](C)(C)C.[Br-] |
| InChIKey | XICFAMHOMSQVHB-UHFFFAOYSA-M |
Product Overview
RefChem:318858 (CAS 66967-91-7), with molecular formula C16H28BrN3O2 and molecular weight 373.14 g/mol. IUPAC: [3-[di(propan-2-yl)carbamoyloxy]-2-pyridinyl]methyl-trimethylazanium bromide.
Chemical Property Profile of RefChem:318858
Property Insights of RefChem:318858
The XLogP value of -0.09 indicates that RefChem:318858 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:318858 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318858 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:318858?
The CAS number of RefChem:318858 is 66967-91-7.
What is the molecular formula of RefChem:318858?
The molecular formula of RefChem:318858 is C16H28BrN3O2.
What is the molecular weight of RefChem:318858?
The molecular weight of RefChem:318858 is 373.14 g/mol.
Where can I buy RefChem:318858?
You can request a quote for RefChem:318858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318858?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.