(3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone
TL;DR: (3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone (CAS 371217-13-9) is a chemical compound with molecular formula C21H19ClN2O3S and molecular weight 414.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-6-nitro-1-benzothiophen-2-yl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone
Also Known As: (3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone, (3-chloro-6-nitro-1-benzothiophen-2-yl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone, (3-chloro-6-nitrobenzo[b]thiophen-2-yl)(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone
| Molecular Formula | C21H19ClN2O3S |
|---|---|
| Molecular Weight | 414.08 g/mol |
| LogP | 6.3955 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.0805 |
| Heavy Atoms | 28 |
| Complexity | 1122.0363 |
Chemical Identifiers
| CAS Number | 371217-13-9 |
|---|---|
| SMILES | CC1CC(N(C2=CC=CC=C12)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)(C)C |
Product Overview
(3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone (CAS 371217-13-9), with molecular formula C21H19ClN2O3S and molecular weight 414.08 g/mol. IUPAC: (3-chloro-6-nitro-1-benzothiophen-2-yl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone.
Chemical Property Profile of (3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone
Property Insights of (3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone
The XLogP value of 6.3955 indicates that (3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone. Following Lipinski's Rule of Five, (3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone?
The CAS number of (3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone is 371217-13-9.
What is the molecular formula of (3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone?
The molecular formula of (3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone is C21H19ClN2O3S.
What is the molecular weight of (3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone?
The molecular weight of (3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone is 414.08 g/mol.
Where can I buy (3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone?
You can request a quote for (3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.