[ CAS No. 7382-59-4 ] {[proInfo.proName]}

Name: 7382-59-4|1-(4-Hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol|98%
Brand: Ambeed
SKU: A219596
Price: 138.0 USD
Availability: InStock
Rating: 99 (22 reviews)

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Cat. No.: {[proInfo.prAm]}

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Excepted Quantity	USD 0.00
Limited Quantity	USD 15-60
Inaccessible (Haz class 6.1), Domestic	USD 80+
Inaccessible (Haz class 6.1), International	USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic	USD 100+
Accessible (Haz class 3, 4, 5 or 8), International	USD 200+

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COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 7382-59-4 ]

Product Details of [ 7382-59-4 ]

CAS No. :	7382-59-4	MDL No. :	MFCD00060144
Formula :	C₁₇H₂₀O₆	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	PPZSOILKWHVNNS-UHFFFAOYSA-N
M.W :	320.34	Pubchem ID :	6424189
Synonyms :

Calculated chemistry of [ 7382-59-4 ]

Physicochemical Properties

Num. heavy atoms :	23
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.29
Num. rotatable bonds :	7
Num. H-bond acceptors :	6.0
Num. H-bond donors :	3.0
Molar Refractivity :	84.37
TPSA :	88.38 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.04 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.93
Log Po/w (XLOGP3) :	1.71
Log Po/w (WLOGP) :	1.56
Log Po/w (MLOGP) :	0.86
Log Po/w (SILICOS-IT) :	2.17
Consensus Log Po/w :	1.84

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.83
Solubility :	0.477 mg/ml ; 0.00149 mol/l
Class :	Soluble
Log S (Ali) :	-3.18
Solubility :	0.211 mg/ml ; 0.000658 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.67
Solubility :	0.0691 mg/ml ; 0.000216 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	3.39

Safety of [ 7382-59-4 ]

Signal Word:	Danger	Class:	9
Precautionary Statements:	P201-P264-P280-P301+P330+P331-P312	UN#:	3077
Hazard Statements:	H302-H361-H372-H410	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 7382-59-4 ]

* 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.

Upstream synthesis route of [ 7382-59-4 ]
Downstream synthetic route of [ 7382-59-4 ]

[ 7382-59-4 ] Synthesis Path-Upstream 1~8

1
[ 7382-59-4 ]
[ 13078-21-2 ]

Reference： [1] Green Chemistry, 2018, vol. 20, # 16, p. 3761 - 3771

2
[ 7382-59-4 ]
[ 1835-11-6 ]

Reference： [1] Tetrahedron, 1997, vol. 53, # 23, p. 7877 - 7888

3
[ 7382-59-4 ]
[ 2503-44-8 ]

Reference： [1] ChemSusChem, 2018, vol. 11, # 2, p. 439 - 448

4
[ 7382-59-4 ]
[ 2503-44-8 ]
[ 120-80-9 ]

Reference： [1] ChemSusChem, 2018, vol. 11, # 2, p. 439 - 448

5
[ 7382-59-4 ]
[ 10535-17-8 ]

Reference： [1] Green Chemistry, 2018, vol. 20, # 16, p. 3761 - 3771

6
[ 7382-59-4 ]
[ 92409-34-2 ]

Reference： [1] Green Chemistry, 2018, vol. 20, # 16, p. 3761 - 3771

7
[ 7382-59-4 ]
[ 94687-10-2 ]

Reference： [1] Green Chemistry, 2018, vol. 20, # 16, p. 3761 - 3771

8
[ 7382-59-4 ]
[ 92409-15-9 ]

Reference： [1] Green Chemistry, 2018, vol. 20, # 16, p. 3761 - 3771

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[ 7382-59-4 ]

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Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
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Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride
	With hydrogen; zinc(II) acetate dihydrate at 150℃; for 8h;

Yield	Reaction Conditions	Operation in experiment
78%	With sodium tetrahydroborate In ethanol at 5 - 25℃; for 3h;
55.4%	With sodium tetrahydroborate; sodium hydroxide at 20℃; for 6h; Inert atmosphere;	3.5 5, guaiacylglycerol-β-guaiacyl ether synthesis Under stirring, 1.0 g of 4- (α- (2-methoxyphenoxy) -β-hydroxypropionyl) -guaiacol was dissolved inA 100mL 0.1mol / L NaOH solution in a three-necked flask, purged with nitrogen, adding 0.8g sodium borohydride, magnetic stirring at room temperatureUnder the reaction for 6 hours, after the reaction was completed, the reaction solution was diluted with dilute hydrochloric acid to pH 7.0 and extracted with methylene chloride, and washed with waterAfter the filtrate was evaporated under reduced pressure, the final product was obtained as white crystals with a yield of 55.4%.
	With sodium tetrahydroborate

Yield	Reaction Conditions	Operation in experiment
	With trimethylsilyl bromide In dichloromethane for 0.0666667h;
	Stage #1: guaiacylglycerol-β-guaiacyl ether With trimethylsilyl bromide In dichloromethane Stage #2: With sodium hydrogencarbonate In dichloromethane Further stages.;

Yield	Reaction Conditions	Operation in experiment
94%	With 5%-palladium/activated carbon; hydrogen In ethanol; ethyl acetate
	With sodium tetrahydroborate; hydrogen 1.) dioxane; 2.) ethanol; Multistep reaction;

[ CAS No. 7382-59-4 ] {[proInfo.proName]}

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