3-Bromo-4-chloropyridine 1-oxide
TL;DR: 3-Bromo-4-chloropyridine 1-oxide (CAS 99839-30-2) is a chemical compound with molecular formula C5H3BrClNO and molecular weight 206.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-chloro-1-oxidopyridin-1-ium
Also Known As: 3-Bromo-4-chloropyridine 1-oxide, 3-bromo-4-chloropyridine-N-oxide, 3-Bromo-4-chloropyridine1-oxide, 3-bromo-4-chloro-1-oxidopyridin-1-ium, 3-bromo-4-chloropyridin-1-ol
| Molecular Formula | C5H3BrClNO |
|---|---|
| Molecular Weight | 206.91 g/mol |
| LogP | 1.7359 |
| Topological Polar Surface Area | 26.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.90865 |
| Heavy Atoms | 9 |
| Complexity | 228.19803 |
Chemical Identifiers
| CAS Number | 99839-30-2 |
|---|---|
| SMILES | C1=C[N+](=CC(=C1Cl)Br)[O-] |
Product Overview
3-Bromo-4-chloropyridine 1-oxide (CAS 99839-30-2), with molecular formula C5H3BrClNO and molecular weight 206.91 g/mol. IUPAC: 3-bromo-4-chloro-1-oxidopyridin-1-ium.
Chemical Property Profile of 3-Bromo-4-chloropyridine 1-oxide
Property Insights of 3-Bromo-4-chloropyridine 1-oxide
The XLogP value of 1.7359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4-chloropyridine 1-oxide. With a topological polar surface area (TPSA) of 26.94 Ų, 3-Bromo-4-chloropyridine 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-chloropyridine 1-oxide has 0 hydrogen bond donor(s) and 1 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 3-Bromo-4-chloropyridine 1-oxide?
The CAS number of 3-Bromo-4-chloropyridine 1-oxide is 99839-30-2.
What is the molecular formula of 3-Bromo-4-chloropyridine 1-oxide?
The molecular formula of 3-Bromo-4-chloropyridine 1-oxide is C5H3BrClNO.
What is the molecular weight of 3-Bromo-4-chloropyridine 1-oxide?
The molecular weight of 3-Bromo-4-chloropyridine 1-oxide is 206.91 g/mol.
Where can I buy 3-Bromo-4-chloropyridine 1-oxide?
You can request a quote for 3-Bromo-4-chloropyridine 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-chloropyridine 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-chloropyridine 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.