ChemDiv1_025981
TL;DR: ChemDiv1_025981 (CAS 296243-76-0) is a chemical compound with molecular formula C19H20F2N2O2 and molecular weight 346.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-difluorophenyl)-6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-amine
Also Known As: ChemDiv1_025981, BAS 13118758, A1924/0080936, N-(3,4-difluorophenyl)-6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-amine, 1-(3,4-difluorophenylimino)-3,3-dimethyl-6,7-dimeth oxy-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C19H20F2N2O2 |
|---|---|
| Molecular Weight | 346.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 42.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.1493 |
| Heavy Atoms | 25 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 296243-76-0 |
|---|---|
| SMILES | CC1(CC2=CC(=C(C=C2C(=N1)NC3=CC(=C(C=C3)F)F)OC)OC)C |
| InChIKey | VYEWIODLOPMFEH-UHFFFAOYSA-N |
Product Overview
ChemDiv1_025981 (CAS 296243-76-0), with molecular formula C19H20F2N2O2 and molecular weight 346.15 g/mol. IUPAC: N-(3,4-difluorophenyl)-6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-amine.
Chemical Property Profile of ChemDiv1_025981
Property Insights of ChemDiv1_025981
The XLogP value of 3.4 indicates that ChemDiv1_025981 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_025981 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_025981 has 1 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 ChemDiv1_025981?
The CAS number of ChemDiv1_025981 is 296243-76-0.
What is the molecular formula of ChemDiv1_025981?
The molecular formula of ChemDiv1_025981 is C19H20F2N2O2.
What is the molecular weight of ChemDiv1_025981?
The molecular weight of ChemDiv1_025981 is 346.15 g/mol.
Where can I buy ChemDiv1_025981?
You can request a quote for ChemDiv1_025981 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025981?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025981 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.