(4-chloro-3-nitrophenyl)(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)methanone
TL;DR: (4-chloro-3-nitrophenyl)(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)methanone (CAS 879467-72-8) is a chemical compound with molecular formula C19H17ClN2O5 and molecular weight 388.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-3-nitrophenyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone
Also Known As: (4-chloro-3-nitrophenyl)(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)methanone, (4-chloro-3-nitrophenyl)(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)methanone, (4-chloro-3-nitrophenyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone
| Molecular Formula | C19H17ClN2O5 |
|---|---|
| Molecular Weight | 388.08 g/mol |
| LogP | 3.9346 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.0826 |
| Heavy Atoms | 27 |
| Complexity | 957.35645 |
Chemical Identifiers
| CAS Number | 879467-72-8 |
|---|---|
| SMILES | COC1=C(C=C2C(=C)N(CCC2=C1)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])OC |
Product Overview
(4-chloro-3-nitrophenyl)(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)methanone (CAS 879467-72-8), with molecular formula C19H17ClN2O5 and molecular weight 388.08 g/mol. IUPAC: (4-chloro-3-nitrophenyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone.
Chemical Property Profile of (4-chloro-3-nitrophenyl)(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Property Insights of (4-chloro-3-nitrophenyl)(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)methanone
The XLogP value of 3.9346 indicates that (4-chloro-3-nitrophenyl)(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-chloro-3-nitrophenyl)(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)methanone. Following Lipinski's Rule of Five, (4-chloro-3-nitrophenyl)(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)methanone 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 (4-chloro-3-nitrophenyl)(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
The CAS number of (4-chloro-3-nitrophenyl)(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)methanone is 879467-72-8.
What is the molecular formula of (4-chloro-3-nitrophenyl)(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
The molecular formula of (4-chloro-3-nitrophenyl)(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)methanone is C19H17ClN2O5.
What is the molecular weight of (4-chloro-3-nitrophenyl)(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
The molecular weight of (4-chloro-3-nitrophenyl)(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)methanone is 388.08 g/mol.
Where can I buy (4-chloro-3-nitrophenyl)(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
You can request a quote for (4-chloro-3-nitrophenyl)(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-chloro-3-nitrophenyl)(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-chloro-3-nitrophenyl)(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.