1-Bromonaphthalen-2-yl 5-bromonicotinate
TL;DR: 1-Bromonaphthalen-2-yl 5-bromonicotinate (CAS 313561-71-6) is a chemical compound with molecular formula C16H9Br2NO2 and molecular weight 404.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-bromonaphthalen-2-yl) 5-bromopyridine-3-carboxylate
Also Known As: 1-bromonaphthalen-2-yl 5-bromonicotinate, 1-bromonaphthalen-2-yl 5-bromopyridine-3-carboxylate, (1-bromonaphthalen-2-yl) 5-bromopyridine-3-carboxylate, F0037-4650
| Molecular Formula | C16H9Br2NO2 |
|---|---|
| Molecular Weight | 404.90 g/mol |
| LogP | 4.979 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 404.9 |
| Heavy Atoms | 21 |
| Complexity | 833.3749 |
Chemical Identifiers
| CAS Number | 313561-71-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2Br)OC(=O)C3=CC(=CN=C3)Br |
Product Overview
1-Bromonaphthalen-2-yl 5-bromonicotinate (CAS 313561-71-6), with molecular formula C16H9Br2NO2 and molecular weight 404.90 g/mol. IUPAC: (1-bromonaphthalen-2-yl) 5-bromopyridine-3-carboxylate.
Chemical Property Profile of 1-Bromonaphthalen-2-yl 5-bromonicotinate
Property Insights of 1-Bromonaphthalen-2-yl 5-bromonicotinate
The XLogP value of 4.979 indicates that 1-Bromonaphthalen-2-yl 5-bromonicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 1-Bromonaphthalen-2-yl 5-bromonicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromonaphthalen-2-yl 5-bromonicotinate has 0 hydrogen bond donor(s) and 3 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 1-Bromonaphthalen-2-yl 5-bromonicotinate?
The CAS number of 1-Bromonaphthalen-2-yl 5-bromonicotinate is 313561-71-6.
What is the molecular formula of 1-Bromonaphthalen-2-yl 5-bromonicotinate?
The molecular formula of 1-Bromonaphthalen-2-yl 5-bromonicotinate is C16H9Br2NO2.
What is the molecular weight of 1-Bromonaphthalen-2-yl 5-bromonicotinate?
The molecular weight of 1-Bromonaphthalen-2-yl 5-bromonicotinate is 404.90 g/mol.
Where can I buy 1-Bromonaphthalen-2-yl 5-bromonicotinate?
You can request a quote for 1-Bromonaphthalen-2-yl 5-bromonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromonaphthalen-2-yl 5-bromonicotinate?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromonaphthalen-2-yl 5-bromonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.