1-Bromo-2-naphthyl 2-nitrobenzoate
TL;DR: 1-Bromo-2-naphthyl 2-nitrobenzoate (CAS 74634-41-6) is a chemical compound with molecular formula C17H10BrNO4 and molecular weight 370.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-bromonaphthalen-2-yl) 2-nitrobenzoate
Also Known As: 1-bromo-2-naphthyl 2-nitrobenzoate, 1-bromonaphthalen-2-yl 2-nitrobenzoate, (1-bromonaphthalen-2-yl) 2-nitrobenzoate, AN-329/40887426
| Molecular Formula | C17H10BrNO4 |
|---|---|
| Molecular Weight | 370.98 g/mol |
| LogP | 4.7297 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.9793 |
| Heavy Atoms | 23 |
| Complexity | 923.36536 |
Chemical Identifiers
| CAS Number | 74634-41-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2Br)OC(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
1-Bromo-2-naphthyl 2-nitrobenzoate (CAS 74634-41-6), with molecular formula C17H10BrNO4 and molecular weight 370.98 g/mol. IUPAC: (1-bromonaphthalen-2-yl) 2-nitrobenzoate.
Chemical Property Profile of 1-Bromo-2-naphthyl 2-nitrobenzoate
Property Insights of 1-Bromo-2-naphthyl 2-nitrobenzoate
The XLogP value of 4.7297 indicates that 1-Bromo-2-naphthyl 2-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Bromo-2-naphthyl 2-nitrobenzoate. Following Lipinski's Rule of Five, 1-Bromo-2-naphthyl 2-nitrobenzoate 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 1-Bromo-2-naphthyl 2-nitrobenzoate?
The CAS number of 1-Bromo-2-naphthyl 2-nitrobenzoate is 74634-41-6.
What is the molecular formula of 1-Bromo-2-naphthyl 2-nitrobenzoate?
The molecular formula of 1-Bromo-2-naphthyl 2-nitrobenzoate is C17H10BrNO4.
What is the molecular weight of 1-Bromo-2-naphthyl 2-nitrobenzoate?
The molecular weight of 1-Bromo-2-naphthyl 2-nitrobenzoate is 370.98 g/mol.
Where can I buy 1-Bromo-2-naphthyl 2-nitrobenzoate?
You can request a quote for 1-Bromo-2-naphthyl 2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-2-naphthyl 2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-2-naphthyl 2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.