Benzoic acid, 2,4-dichloro-, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-2-(1-naphthalenyl)butylester, hydrochloride
TL;DR: Benzoic acid, 2,4-dichloro-, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-2-(1-naphthalenyl)butylester, hydrochloride (CAS 119607-22-6) is a chemical compound with molecular formula C30H28Cl3NO2 and molecular weight 539.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-naphthalen-1-ylbutyl] 2,4-dichlorobenzoate;hydrochloride
Also Known As: Benzoic acid, 2,4-dichloro-, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-2-(1-naphthalenyl)butylester, hydrochloride, 4-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-(naphthalen-1-yl)butyl 2,4-dichlorobenzoate--hydrogen chloride (1/1), [4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-naphthalen-1-ylbutyl] 2,4-dichlorobenzoate hydrochloride, RefChem:1069863
| Molecular Formula | C30H28Cl3NO2 |
|---|---|
| Molecular Weight | 539.12 g/mol |
| LogP | 7.9574 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 539.1186 |
| Heavy Atoms | 36 |
| Complexity | 1351.8679 |
Chemical Identifiers
| CAS Number | 119607-22-6 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)CCC(COC(=O)C3=C(C=C(C=C3)Cl)Cl)C4=CC=CC5=CC=CC=C54.Cl |
Product Overview
Benzoic acid, 2,4-dichloro-, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-2-(1-naphthalenyl)butylester, hydrochloride (CAS 119607-22-6), with molecular formula C30H28Cl3NO2 and molecular weight 539.12 g/mol. IUPAC: [4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-naphthalen-1-ylbutyl] 2,4-dichlorobenzoate;hydrochloride.
Chemical Property Profile of Benzoic acid, 2,4-dichloro-, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-2-(1-naphthalenyl)butylester, hydrochloride
Property Insights of Benzoic acid, 2,4-dichloro-, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-2-(1-naphthalenyl)butylester, hydrochloride
The XLogP value of 7.9574 indicates that Benzoic acid, 2,4-dichloro-, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-2-(1-naphthalenyl)butylester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, Benzoic acid, 2,4-dichloro-, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-2-(1-naphthalenyl)butylester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2,4-dichloro-, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-2-(1-naphthalenyl)butylester, hydrochloride 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 Benzoic acid, 2,4-dichloro-, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-2-(1-naphthalenyl)butylester, hydrochloride?
The CAS number of Benzoic acid, 2,4-dichloro-, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-2-(1-naphthalenyl)butylester, hydrochloride is 119607-22-6.
What is the molecular formula of Benzoic acid, 2,4-dichloro-, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-2-(1-naphthalenyl)butylester, hydrochloride?
The molecular formula of Benzoic acid, 2,4-dichloro-, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-2-(1-naphthalenyl)butylester, hydrochloride is C30H28Cl3NO2.
What is the molecular weight of Benzoic acid, 2,4-dichloro-, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-2-(1-naphthalenyl)butylester, hydrochloride?
The molecular weight of Benzoic acid, 2,4-dichloro-, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-2-(1-naphthalenyl)butylester, hydrochloride is 539.12 g/mol.
Where can I buy Benzoic acid, 2,4-dichloro-, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-2-(1-naphthalenyl)butylester, hydrochloride?
You can request a quote for Benzoic acid, 2,4-dichloro-, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-2-(1-naphthalenyl)butylester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2,4-dichloro-, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-2-(1-naphthalenyl)butylester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,4-dichloro-, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-2-(1-naphthalenyl)butylester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.