BENZOIC ACID, p-BROMO-, 7-NITRO-8-QUINOLYL ESTER
TL;DR: BENZOIC ACID, p-BROMO-, 7-NITRO-8-QUINOLYL ESTER (CAS 29007-05-4) is a chemical compound with molecular formula C16H9BrN2O4 and molecular weight 371.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-nitroquinolin-8-yl) 4-bromobenzoate
Also Known As: 7-nitroquinolin-8-yl 4-bromobenzoate, 8-Quinolinol, 7-nitro-, p-bromobenzoate, 7-Nitro-8-quinolyl=p-bromobenzoate, p-Bromobenzoic acid, 7-nitro-8-quinolyl ester, (7-nitroquinolin-8-yl) 4-bromobenzoate
| Molecular Formula | C16H9BrN2O4 |
|---|---|
| Molecular Weight | 371.97 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.97458 |
| Heavy Atoms | 23 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 29007-05-4 |
|---|---|
| SMILES | C1=CC2=C(C(=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)Br)N=C1 |
| InChIKey | MYXVDQGMVAWSPL-UHFFFAOYSA-N |
Product Overview
BENZOIC ACID, p-BROMO-, 7-NITRO-8-QUINOLYL ESTER (CAS 29007-05-4), with molecular formula C16H9BrN2O4 and molecular weight 371.97 g/mol. IUPAC: (7-nitroquinolin-8-yl) 4-bromobenzoate.
Chemical Property Profile of BENZOIC ACID, p-BROMO-, 7-NITRO-8-QUINOLYL ESTER
Property Insights of BENZOIC ACID, p-BROMO-, 7-NITRO-8-QUINOLYL ESTER
The XLogP value of 4.1 indicates that BENZOIC ACID, p-BROMO-, 7-NITRO-8-QUINOLYL ESTER is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BENZOIC ACID, p-BROMO-, 7-NITRO-8-QUINOLYL ESTER. Following Lipinski's Rule of Five, BENZOIC ACID, p-BROMO-, 7-NITRO-8-QUINOLYL ESTER has 0 hydrogen bond donor(s) and 5 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 BENZOIC ACID, p-BROMO-, 7-NITRO-8-QUINOLYL ESTER?
The CAS number of BENZOIC ACID, p-BROMO-, 7-NITRO-8-QUINOLYL ESTER is 29007-05-4.
What is the molecular formula of BENZOIC ACID, p-BROMO-, 7-NITRO-8-QUINOLYL ESTER?
The molecular formula of BENZOIC ACID, p-BROMO-, 7-NITRO-8-QUINOLYL ESTER is C16H9BrN2O4.
What is the molecular weight of BENZOIC ACID, p-BROMO-, 7-NITRO-8-QUINOLYL ESTER?
The molecular weight of BENZOIC ACID, p-BROMO-, 7-NITRO-8-QUINOLYL ESTER is 371.97 g/mol.
Where can I buy BENZOIC ACID, p-BROMO-, 7-NITRO-8-QUINOLYL ESTER?
You can request a quote for BENZOIC ACID, p-BROMO-, 7-NITRO-8-QUINOLYL ESTER directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BENZOIC ACID, p-BROMO-, 7-NITRO-8-QUINOLYL ESTER?
Yes, KEHONG BIO provides custom synthesis services for BENZOIC ACID, p-BROMO-, 7-NITRO-8-QUINOLYL ESTER and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.