[ CAS No. 62306-80-3 ] {[proInfo.proName]}

Name: 62306-80-3|(5-Formylfuran-3-yl)boronic acid|98%
Brand: Ambeed
SKU: A335381
Price: 5.0 USD
Availability: InStock
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2D 3D

Structure of 62306-80-3 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 62306-80-3 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 62306-80-3 ]

SDS Specification

Alternatived Products of [ 62306-80-3 ]

Product Details of [ 62306-80-3 ]

CAS No. :	62306-80-3	MDL No. :	MFCD01319004
Formula :	C₅H₅BO₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	RIBSTTPRQPAXRS-UHFFFAOYSA-N
M.W :	139.90	Pubchem ID :	5221096
Synonyms :

Calculated chemistry of [ 62306-80-3 ]

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	33.92
TPSA :	70.67 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) :	-7.37 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-0.31
Log Po/w (WLOGP) :	-1.23
Log Po/w (MLOGP) :	-2.29
Log Po/w (SILICOS-IT) :	-1.09
Consensus Log Po/w :	-0.98

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.75
Solubility :	24.9 mg/ml ; 0.178 mol/l
Class :	Very soluble
Log S (Ali) :	-0.71
Solubility :	27.1 mg/ml ; 0.193 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.42
Solubility :	52.8 mg/ml ; 0.378 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.49

Safety of [ 62306-80-3 ]

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

Application In Synthesis of [ 62306-80-3 ]

* 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 [ 62306-80-3 ]
Downstream synthetic route of [ 62306-80-3 ]

[ 62306-80-3 ] Synthesis Path-Upstream 1~6

1
[ 27065-51-6 ]
[ 5419-55-6 ]
[ 62306-80-3 ]

Reference： [1] Patent: WO2006/122683, 2006, A2, . Location in patent: Page/Page column 9-10
[2] Patent: WO2006/122683, 2006, A2, . Location in patent: Page/Page column 8-9
[3] Patent: WO2006/122683, 2006, A2, . Location in patent: Page/Page column 8
[4] Patent: WO2006/122683, 2006, A2, . Location in patent: Page/Page column 9
[5] Patent: WO2006/122683, 2006, A2, . Location in patent: Page/Page column 6-7; 8
[6] Patent: WO2006/122683, 2006, A2, . Location in patent: Page/Page column 8

2
[ 917076-54-1 ]
[ 5419-55-6 ]
[ 62306-80-3 ]

Reference： [1] Patent: WO2006/122683, 2006, A2, . Location in patent: Page/Page column 10

3
[ 5419-55-6 ]
[ 83953-42-8 ]
[ 62306-80-3 ]

Reference： [1] Patent: WO2006/122683, 2006, A2, . Location in patent: Page/Page column 8

4
[ 915040-89-0 ]
[ 5419-55-6 ]
[ 62306-80-3 ]

Reference： [1] Patent: WO2006/122683, 2006, A2, . Location in patent: Page/Page column 7

5
[ 681509-84-2 ]
[ 5419-55-6 ]
[ 62306-80-3 ]

Reference： [1] Patent: WO2006/122683, 2006, A2, . Location in patent: Page/Page column 8

6
[ 27065-51-6 ]
[ 688-74-4 ]
[ 62306-80-3 ]

Reference： [1] Patent: WO2006/122683, 2006, A2, . Location in patent: Page/Page column 8

[ 62306-80-3 ] Synthesis Path-Downstream 1~28

2
[ 62306-80-3 ]
[ 700844-36-6 ]
[ 700845-77-8 ]