3-Bromophenyl nicotinate
TL;DR: 3-Bromophenyl nicotinate (CAS 3717-74-6) is a chemical compound with molecular formula C12H8BrNO2 and molecular weight 276.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromophenyl) pyridine-3-carboxylate
Also Known As: 3-bromophenyl nicotinate, ChemDiv2_000148, 1-Brom-3-nicotinoyloxy-benzol, (3-bromophenyl) pyridine-3-carboxylate, 3-BROMOPHENYL PYRIDINE-3-CARBOXYLATE
| Molecular Formula | C12H8BrNO2 |
|---|---|
| Molecular Weight | 276.97 g/mol |
| LogP | 3.0633 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.97385 |
| Heavy Atoms | 16 |
| Complexity | 499.38177 |
Chemical Identifiers
| CAS Number | 3717-74-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)OC(=O)C2=CN=CC=C2 |
Product Overview
3-Bromophenyl nicotinate (CAS 3717-74-6), with molecular formula C12H8BrNO2 and molecular weight 276.97 g/mol. IUPAC: (3-bromophenyl) pyridine-3-carboxylate.
Chemical Property Profile of 3-Bromophenyl nicotinate
Property Insights of 3-Bromophenyl nicotinate
The XLogP value of 3.0633 indicates that 3-Bromophenyl nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 3-Bromophenyl nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromophenyl nicotinate 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 3-Bromophenyl nicotinate?
The CAS number of 3-Bromophenyl nicotinate is 3717-74-6.
What is the molecular formula of 3-Bromophenyl nicotinate?
The molecular formula of 3-Bromophenyl nicotinate is C12H8BrNO2.
What is the molecular weight of 3-Bromophenyl nicotinate?
The molecular weight of 3-Bromophenyl nicotinate is 276.97 g/mol.
Where can I buy 3-Bromophenyl nicotinate?
You can request a quote for 3-Bromophenyl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromophenyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromophenyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.