5-Nitroquinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate
TL;DR: 5-Nitroquinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate (CAS 690249-52-6) is a chemical compound with molecular formula C22H21N3O6S and molecular weight 455.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-nitroquinolin-8-yl) 3-(azepan-1-ylsulfonyl)benzoate
Also Known As: 5-nitroquinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate, 5-NITROQUINOLIN-8-YL 3-(AZEPANE-1-SULFONYL)BENZOATE, (5-nitroquinolin-8-yl) 3-(azepan-1-ylsulfonyl)benzoate, 5-nitro-8-quinolinyl 3-(1-azepanylsulfonyl)benzoate, 5-nitro-8-quinolyl 3-(azaperhydroepinylsulfonyl)benzoate
| Molecular Formula | C22H21N3O6S |
|---|---|
| Molecular Weight | 455.12 g/mol |
| LogP | 3.9269 |
| Topological Polar Surface Area | 119.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.1151 |
| Heavy Atoms | 32 |
| Complexity | 1283.8207 |
Chemical Identifiers
| CAS Number | 690249-52-6 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4 |
Product Overview
5-Nitroquinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate (CAS 690249-52-6), with molecular formula C22H21N3O6S and molecular weight 455.12 g/mol. IUPAC: (5-nitroquinolin-8-yl) 3-(azepan-1-ylsulfonyl)benzoate.
Chemical Property Profile of 5-Nitroquinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate
Property Insights of 5-Nitroquinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate
The XLogP value of 3.9269 indicates that 5-Nitroquinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitroquinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate. Following Lipinski's Rule of Five, 5-Nitroquinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate has 0 hydrogen bond donor(s) and 7 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-Nitroquinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate?
The CAS number of 5-Nitroquinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate is 690249-52-6.
What is the molecular formula of 5-Nitroquinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate?
The molecular formula of 5-Nitroquinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate is C22H21N3O6S.
What is the molecular weight of 5-Nitroquinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate?
The molecular weight of 5-Nitroquinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate is 455.12 g/mol.
Where can I buy 5-Nitroquinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate?
You can request a quote for 5-Nitroquinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitroquinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitroquinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.