ChemDiv1_025937
TL;DR: ChemDiv1_025937 (CAS 296243-75-9) is a chemical compound with molecular formula C19H21ClN2O2 and molecular weight 344.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-amine
Also Known As: ChemDiv1_025937, BAS 01025011, A1924/0080935, N-(4-chlorophenyl)-6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-amine, (E)-4-chloro-N-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)aniline
| Molecular Formula | C19H21ClN2O2 |
|---|---|
| Molecular Weight | 344.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 42.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.12915 |
| Heavy Atoms | 24 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 296243-75-9 |
|---|---|
| SMILES | CC1(CC2=CC(=C(C=C2C(=N1)NC3=CC=C(C=C3)Cl)OC)OC)C |
| InChIKey | IMFQTJBFTGELQT-UHFFFAOYSA-N |
Product Overview
ChemDiv1_025937 (CAS 296243-75-9), with molecular formula C19H21ClN2O2 and molecular weight 344.13 g/mol. IUPAC: N-(4-chlorophenyl)-6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-amine.
Chemical Property Profile of ChemDiv1_025937
Property Insights of ChemDiv1_025937
The XLogP value of 3.9 indicates that ChemDiv1_025937 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.9 Ų, ChemDiv1_025937 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_025937 has 1 hydrogen bond donor(s) and 3 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 ChemDiv1_025937?
The CAS number of ChemDiv1_025937 is 296243-75-9.
What is the molecular formula of ChemDiv1_025937?
The molecular formula of ChemDiv1_025937 is C19H21ClN2O2.
What is the molecular weight of ChemDiv1_025937?
The molecular weight of ChemDiv1_025937 is 344.13 g/mol.
Where can I buy ChemDiv1_025937?
You can request a quote for ChemDiv1_025937 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025937?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025937 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.