(2-chloro-5-nitrophenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
TL;DR: (2-chloro-5-nitrophenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone (CAS 879467-75-1) is a chemical compound with molecular formula C18H17ClN2O5 and molecular weight 376.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-5-nitrophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
Also Known As: (2-chloro-5-nitrophenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone, (2-chloro-5-nitrophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
| Molecular Formula | C18H17ClN2O5 |
|---|---|
| Molecular Weight | 376.08 g/mol |
| LogP | 3.4639 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.0826 |
| Heavy Atoms | 26 |
| Complexity | 884.1254 |
Chemical Identifiers
| CAS Number | 879467-75-1 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)OC |
Product Overview
(2-chloro-5-nitrophenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone (CAS 879467-75-1), with molecular formula C18H17ClN2O5 and molecular weight 376.08 g/mol. IUPAC: (2-chloro-5-nitrophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
Chemical Property Profile of (2-chloro-5-nitrophenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Property Insights of (2-chloro-5-nitrophenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
The XLogP value of 3.4639 indicates that (2-chloro-5-nitrophenyl)(6,7-dimethoxy-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 (2-chloro-5-nitrophenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone. Following Lipinski's Rule of Five, (2-chloro-5-nitrophenyl)(6,7-dimethoxy-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 (2-chloro-5-nitrophenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
The CAS number of (2-chloro-5-nitrophenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone is 879467-75-1.
What is the molecular formula of (2-chloro-5-nitrophenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
The molecular formula of (2-chloro-5-nitrophenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone is C18H17ClN2O5.
What is the molecular weight of (2-chloro-5-nitrophenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
The molecular weight of (2-chloro-5-nitrophenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone is 376.08 g/mol.
Where can I buy (2-chloro-5-nitrophenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
You can request a quote for (2-chloro-5-nitrophenyl)(6,7-dimethoxy-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 (2-chloro-5-nitrophenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (2-chloro-5-nitrophenyl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.