ChemDiv1_023332
TL;DR: ChemDiv1_023332 (CAS 304650-62-2) is a chemical compound with molecular formula C21H22F2N2O2 and molecular weight 372.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-difluorophenyl)-6,7-dimethoxyspiro[4H-isoquinoline-3,1'-cyclopentane]-1-amine
Also Known As: ChemDiv1_023332, N-(3,4-difluorophenyl)-6,7-dimethoxyspiro[4H-isoquinoline-3,1'-cyclopentane]-1-amine, (1'Z)-N-(3,4-DIFLUOROPHENYL)-6',7'-DIMETHOXY-2',4'-DIHYDRO-1'H-SPIRO[CYCLOPENTANE-1,3'-ISOQUINOLIN]-1'-IMINE, (E)-N-(6',7'-dimethoxy-2',4'-dihydro-1'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-ylidene)-3,4-difluoroaniline, N-[(1'Z)-6',7'-dimethoxy-2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidene]-3,4-difluoroaniline
| Molecular Formula | C21H22F2N2O2 |
|---|---|
| Molecular Weight | 372.16 g/mol |
| LogP | 4.7096 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.16495 |
| Heavy Atoms | 27 |
| Complexity | 905.29486 |
Chemical Identifiers
| CAS Number | 304650-62-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CC3(CCCC3)N=C2NC4=CC(=C(C=C4)F)F)OC |
Product Overview
ChemDiv1_023332 (CAS 304650-62-2), with molecular formula C21H22F2N2O2 and molecular weight 372.16 g/mol. IUPAC: N-(3,4-difluorophenyl)-6,7-dimethoxyspiro[4H-isoquinoline-3,1'-cyclopentane]-1-amine.
Chemical Property Profile of ChemDiv1_023332
Property Insights of ChemDiv1_023332
The XLogP value of 4.7096 indicates that ChemDiv1_023332 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, ChemDiv1_023332 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023332 has 1 hydrogen bond donor(s) and 4 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_023332?
The CAS number of ChemDiv1_023332 is 304650-62-2.
What is the molecular formula of ChemDiv1_023332?
The molecular formula of ChemDiv1_023332 is C21H22F2N2O2.
What is the molecular weight of ChemDiv1_023332?
The molecular weight of ChemDiv1_023332 is 372.16 g/mol.
Where can I buy ChemDiv1_023332?
You can request a quote for ChemDiv1_023332 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023332?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023332 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.