![1-[(2-nitrophenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline structure](/static/products/4077/4077-46-7.webp)
1-[(2-nitrophenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline
TL;DR: 1-[(2-nitrophenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline (CAS 4077-46-7) is a chemical compound with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-nitrophenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline
Also Known As: 1-[(2-nitrophenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline, 1-[(2-Nitrophenyl)methanesulfonyl]-1,2,3,4-tetrahydroquinoline
| Molecular Formula | C16H16N2O4S |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 2.8774 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.08307 |
| Heavy Atoms | 23 |
| Complexity | 848.6637 |
Chemical Identifiers
| CAS Number | 4077-46-7 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)S(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
1-[(2-nitrophenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline (CAS 4077-46-7), with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol. IUPAC: 1-[(2-nitrophenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline.
Chemical Property Profile of 1-[(2-nitrophenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline
Property Insights of 1-[(2-nitrophenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline
The XLogP value of 2.8774 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-nitrophenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2-nitrophenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline. Following Lipinski's Rule of Five, 1-[(2-nitrophenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline 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-[(2-nitrophenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline?
The CAS number of 1-[(2-nitrophenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline is 4077-46-7.
What is the molecular formula of 1-[(2-nitrophenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline?
The molecular formula of 1-[(2-nitrophenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline is C16H16N2O4S.
What is the molecular weight of 1-[(2-nitrophenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline?
The molecular weight of 1-[(2-nitrophenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline is 332.08 g/mol.
Where can I buy 1-[(2-nitrophenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline?
You can request a quote for 1-[(2-nitrophenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2-nitrophenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-nitrophenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.