[ CAS No. 69-05-6 ] {[proInfo.proName]}

Name: 69-05-6|N4-(6-Chloro-2-methoxyacridin-9-yl)-N1,N1-diethylpentane-1,4-diamine dihydrochloride|98%
Brand: Ambeed
SKU: A266175
Price: 6.0 USD
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Quality Control of [ 69-05-6 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 69-05-6 ]

SDS Specification

Alternatived Products of [ 69-05-6 ]

Product Details of [ 69-05-6 ]

CAS No. :	69-05-6	MDL No. :	MFCD00012659
Formula :	C₂₃H₃₂Cl₃N₃O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	UDKVBVICMUEIKS-UHFFFAOYSA-N
M.W :	472.88	Pubchem ID :	6239
Synonyms :	Mepacrine dihydrochloride;SN-390 dihydrochloride;Quinacrine 2HCl	Chemical Name :	N4-(6-Chloro-2-methoxyacridin-9-yl)-N1,N1-diethylpentane-1,4-diamine dihydrochloride

Calculated chemistry of [ 69-05-6 ]

Physicochemical Properties

Num. heavy atoms :	30
Num. arom. heavy atoms :	14
Fraction Csp3 :	0.43
Num. rotatable bonds :	9
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	135.34
TPSA :	37.39 Å²

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-3.77 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	7.63
Log Po/w (WLOGP) :	7.39
Log Po/w (MLOGP) :	4.2
Log Po/w (SILICOS-IT) :	5.52
Consensus Log Po/w :	4.95

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	0.0
Egan :	1.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-7.33
Solubility :	0.0000221 mg/ml ; 0.0000000468 mol/l
Class :	Poorly soluble
Log S (Ali) :	-8.25
Solubility :	0.00000263 mg/ml ; 0.0000000056 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-8.66
Solubility :	0.00000103 mg/ml ; 0.0000000022 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	1.0 alert
Brenk :	1.0 alert
Leadlikeness :	3.0
Synthetic accessibility :	3.34

Safety of [ 69-05-6 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P301+P312-P302+P352-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 69-05-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 69-05-6 ]

[ 69-05-6 ] Synthesis Path-Downstream 1~22

1
[ 69-05-6 ]
[ 21332-86-5 ]

Reference： [1]Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie,1984,vol. 39,p. 1626 - 1628

2
[ 69-05-6 ]
[ 21332-86-5 ]
[ 3548-09-2 ]

Reference： [1]Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie,1984,vol. 39,p. 1626 - 1628

3
[ 69-05-6 ]
[ 3407-99-6 ]

Reference： [1]Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie,1984,vol. 39,p. 1626 - 1628

4
[ 69-05-6 ]
[ 3548-09-2 ]

Reference： [1]Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie,1984,vol. 39,p. 1626 - 1628

5
[ 5720-07-0 ]
[ 69-05-6 ]
[ 1092384-64-9 ]

Reference： [1]Organic Letters,2008,vol. 10,p. 5329 - 5332

6
[ 69-05-6 ]
[ 97-05-2 ]
6-chloro-9-[(4-diethylammonio-2-methylbutyl)amino]-2-methoxyacridinium-3-carboxylato-4-hydroxybenzenesulfonate dihydrate [ No CAS ]

Reference： [1]Acta Crystallographica, Section C: Crystal Structure Communications,2008,vol. 64,p. o428-o430

7
[ 69-05-6 ]
[ 908844-46-2 ]

Reference： [1]Journal of Pharmaceutical Sciences,2011,vol. 100,p. 3223 - 3232

8
[ 69-05-6 ]
[ 21332-86-5 ]
[ 908844-46-2 ]
[ 13161-87-0 ]
[ 854892-24-3 ]
[ 83196-72-9 ]

Reference： [1]Journal of Pharmaceutical Sciences,2011,vol. 100,p. 3223 - 3232

9
[ 69-05-6 ]
[ 908844-46-2 ]
[ 13161-87-0 ]
[ 83196-72-9 ]

Reference： [1]Journal of Pharmaceutical Sciences,2011,vol. 100,p. 3223 - 3232

10
H-Asp-Cys-Val-Asn-OH [ No CAS ]
[ 69-05-6 ]
H-Asp-Cys(Qui)-Val-Asn-OH [ No CAS ]
Qui-[Cys(Qui)178]MoPrP₁₇₇-180 [ No CAS ]