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[5-[(2,5-Dichlorophenoxy)methyl]-2-furanyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone
TL;DR: [5-[(2,5-Dichlorophenoxy)methyl]-2-furanyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone (CAS 438473-12-2) is a chemical compound with molecular formula C21H17Cl2NO3 and molecular weight 401.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
Also Known As: [5-[(2,5-Dichlorophenoxy)methyl]-2-furanyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone, [5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone, 2-{5-[(2,5-DICHLOROPHENOXY)METHYL]FURAN-2-CARBONYL}-1,2,3,4-TETRAHYDROISOQUINOLINE, (5-((2,5-Dichlorophenoxy)methyl)-2-furanyl)(3,4-dihydro-2(1H)-isoquinolinyl)methanone, {5-[(2,5-dichlorophenoxy)methyl]furan-2-yl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone
| Molecular Formula | C21H17Cl2NO3 |
|---|---|
| Molecular Weight | 401.06 g/mol |
| LogP | 5.3639 |
| Topological Polar Surface Area | 42.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.05856 |
| Heavy Atoms | 27 |
| Complexity | 983.063 |
Chemical Identifiers
| CAS Number | 438473-12-2 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(O3)COC4=C(C=CC(=C4)Cl)Cl |
Product Overview
[5-[(2,5-Dichlorophenoxy)methyl]-2-furanyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone (CAS 438473-12-2), with molecular formula C21H17Cl2NO3 and molecular weight 401.06 g/mol. IUPAC: [5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
Chemical Property Profile of [5-[(2,5-Dichlorophenoxy)methyl]-2-furanyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone
Property Insights of [5-[(2,5-Dichlorophenoxy)methyl]-2-furanyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone
The XLogP value of 5.3639 indicates that [5-[(2,5-Dichlorophenoxy)methyl]-2-furanyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.68 Ų, [5-[(2,5-Dichlorophenoxy)methyl]-2-furanyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [5-[(2,5-Dichlorophenoxy)methyl]-2-furanyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [5-[(2,5-Dichlorophenoxy)methyl]-2-furanyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone?
The CAS number of [5-[(2,5-Dichlorophenoxy)methyl]-2-furanyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone is 438473-12-2.
What is the molecular formula of [5-[(2,5-Dichlorophenoxy)methyl]-2-furanyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone?
The molecular formula of [5-[(2,5-Dichlorophenoxy)methyl]-2-furanyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone is C21H17Cl2NO3.
What is the molecular weight of [5-[(2,5-Dichlorophenoxy)methyl]-2-furanyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone?
The molecular weight of [5-[(2,5-Dichlorophenoxy)methyl]-2-furanyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone is 401.06 g/mol.
Where can I buy [5-[(2,5-Dichlorophenoxy)methyl]-2-furanyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone?
You can request a quote for [5-[(2,5-Dichlorophenoxy)methyl]-2-furanyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-[(2,5-Dichlorophenoxy)methyl]-2-furanyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [5-[(2,5-Dichlorophenoxy)methyl]-2-furanyl](3,4-dihydro-2(1H)-isoquinolinyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.