RefChem:318631
TL;DR: RefChem:318631 (CAS 69766-50-3) is a chemical compound with molecular formula C17H21Br2N3O2 and molecular weight 457.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(4-bromophenyl)-methylcarbamoyl]oxy-2-pyridinyl]methyl-trimethylazanium bromide
Also Known As: Ro 2-1976, Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, (p-bromophenyl)methylcarbamate, ((3-Hydroxy-2-pyridyl)methyl)trimethylammonium bromide (p-bromophenyl)methylcarbamate, [3-[(4-bromophenyl)-methylcarbamoyl]oxypyridin-2-yl]methyl-trimethylazanium bromide, (3-{[(4-bromophenyl)(methyl)carbamoyl]oxy}pyridin-2-yl)-N,N,N-trimethylmethanaminium bromide
| Molecular Formula | C17H21Br2N3O2 |
|---|---|
| Molecular Weight | 457.00 g/mol |
| LogP | 0.69 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.998 |
| Heavy Atoms | 24 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 69766-50-3 |
|---|---|
| SMILES | CN(C1=CC=C(C=C1)Br)C(=O)OC2=C(N=CC=C2)C[N+](C)(C)C.[Br-] |
| InChIKey | KXYBFKJEJAYODT-UHFFFAOYSA-M |
Product Overview
RefChem:318631 (CAS 69766-50-3), with molecular formula C17H21Br2N3O2 and molecular weight 457.00 g/mol. IUPAC: [3-[(4-bromophenyl)-methylcarbamoyl]oxy-2-pyridinyl]methyl-trimethylazanium bromide.
Chemical Property Profile of RefChem:318631
Property Insights of RefChem:318631
The XLogP value of 0.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318631. With a topological polar surface area (TPSA) of 42.4 Ų, RefChem:318631 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318631 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:318631?
The CAS number of RefChem:318631 is 69766-50-3.
What is the molecular formula of RefChem:318631?
The molecular formula of RefChem:318631 is C17H21Br2N3O2.
What is the molecular weight of RefChem:318631?
The molecular weight of RefChem:318631 is 457.00 g/mol.
Where can I buy RefChem:318631?
You can request a quote for RefChem:318631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318631?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.