[ CAS No. 4358-64-9 ] {[proInfo.proName]}

Name: 4358-64-9|cis-Tetrahydrofuran-3,4-diol|98%
Brand: Ambeed
SKU: A404396
Rating: 94 (30 reviews)

,{[proInfo.pro_purity]}

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

2D 3D

Structure of 4358-64-9 * Storage: {[proInfo.prStorage]}

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 4358-64-9 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 4358-64-9 ]

SDS Specification

Alternatived Products of [ 4358-64-9 ]

Product Details of [ 4358-64-9 ]

CAS No. :	4358-64-9	MDL No. :	MFCD00075210
Formula :	C₄H₈O₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	SSYDTHANSGMJTP-ZXZARUISSA-N
M.W :	104.10	Pubchem ID :	641773
Synonyms :		Chemical Name :	cis-Tetrahydrofuran-3,4-diol

Calculated chemistry of [ 4358-64-9 ]

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	22.64
TPSA :	49.69 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) :	-7.91 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.75
Log Po/w (XLOGP3) :	-1.38
Log Po/w (WLOGP) :	-1.26
Log Po/w (MLOGP) :	-1.45
Log Po/w (SILICOS-IT) :	-0.11
Consensus Log Po/w :	-0.69

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	0.38
Solubility :	252.0 mg/ml ; 2.42 mol/l
Class :	Highly soluble
Log S (Ali) :	0.84
Solubility :	716.0 mg/ml ; 6.88 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.95
Solubility :	936.0 mg/ml ; 8.99 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.34

Safety of [ 4358-64-9 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P260-P264-P270-P301+P312+P330-P314-P501	UN#:	N/A
Hazard Statements:	H302-H373	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 4358-64-9 ]

* 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 [ 4358-64-9 ]
Downstream synthetic route of [ 4358-64-9 ]

[ 4358-64-9 ] Synthesis Path-Upstream 1~6

1
[ 4358-64-9 ]
[ 453-20-3 ]

Yield	Reaction Conditions	Operation in experiment
10 %Chromat.	With 5-nonanol; methyltrioxorhenium(VII) In dodecane; benzene at 140℃; for 45 h; Sealed tube	General procedure: CH₃ReO₃ (0.036 mmol), Glycol (0.36 mmol) and and 0.022 mmol dodecane (internal standard), 5-nonanol (0.68 mmol) were mixed in anhydrous benzene (2 mL) in a 1.5 mL thick walled glass tube fitted with Teflon screw-cap/plunger (Ace Glass), and a spin bar was added. The reaction mixture was heated at 90-150 °C in a preheated oil bath for 24-95 h. The mixture was cooled to room temperature, and an aliquot removed for GC-MS analysis.

Reference： [1] Tetrahedron Letters, 2014, vol. 55, # 30, p. 4178 - 4180

2
[ 909878-64-4 ]
[ 109-99-9 ]
[ 453-20-3 ]
[ 110-63-4 ]
[ 18826-95-4 ]
[ 4358-64-9 ]
[ 513-85-9 ]
[ 584-03-2 ]