5-Bromo-nicotinic acid 2-bromo-benzyl ester
TL;DR: 5-Bromo-nicotinic acid 2-bromo-benzyl ester (CAS 1033692-93-1) is a chemical compound with molecular formula C13H9Br2NO2 and molecular weight 368.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromophenyl)methyl 5-bromopyridine-3-carboxylate
Also Known As: 5-Bromo-nicotinic acid 2-bromo-benzyl ester, (2-bromophenyl)methyl 5-bromopyridine-3-carboxylate, 5-Bromo-nicotinic acid 2-bromo-benzyl ester - 10MG 10mg
| Molecular Formula | C13H9Br2NO2 |
|---|---|
| Molecular Weight | 368.90 g/mol |
| LogP | 3.9636 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.9 |
| Heavy Atoms | 18 |
| Complexity | 572.4226 |
Chemical Identifiers
| CAS Number | 1033692-93-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)COC(=O)C2=CC(=CN=C2)Br)Br |
Product Overview
5-Bromo-nicotinic acid 2-bromo-benzyl ester (CAS 1033692-93-1), with molecular formula C13H9Br2NO2 and molecular weight 368.90 g/mol. IUPAC: (2-bromophenyl)methyl 5-bromopyridine-3-carboxylate.
Chemical Property Profile of 5-Bromo-nicotinic acid 2-bromo-benzyl ester
Property Insights of 5-Bromo-nicotinic acid 2-bromo-benzyl ester
The XLogP value of 3.9636 indicates that 5-Bromo-nicotinic acid 2-bromo-benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 5-Bromo-nicotinic acid 2-bromo-benzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-nicotinic acid 2-bromo-benzyl ester 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 5-Bromo-nicotinic acid 2-bromo-benzyl ester?
The CAS number of 5-Bromo-nicotinic acid 2-bromo-benzyl ester is 1033692-93-1.
What is the molecular formula of 5-Bromo-nicotinic acid 2-bromo-benzyl ester?
The molecular formula of 5-Bromo-nicotinic acid 2-bromo-benzyl ester is C13H9Br2NO2.
What is the molecular weight of 5-Bromo-nicotinic acid 2-bromo-benzyl ester?
The molecular weight of 5-Bromo-nicotinic acid 2-bromo-benzyl ester is 368.90 g/mol.
Where can I buy 5-Bromo-nicotinic acid 2-bromo-benzyl ester?
You can request a quote for 5-Bromo-nicotinic acid 2-bromo-benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-nicotinic acid 2-bromo-benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-nicotinic acid 2-bromo-benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.