[ CAS No. 25090-33-9 ] {[proInfo.proName]}

Name: 25090-33-9|3,4-Dihydro-2H-pyran-5-carbaldehyde|98%
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SKU: A521291
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2D 3D

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Quality Control of [ 25090-33-9 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 25090-33-9 ]

SDS Specification

Alternatived Products of [ 25090-33-9 ]

Product Details of [ 25090-33-9 ]

CAS No. :	25090-33-9	MDL No. :	MFCD00085019
Formula :	C₆H₈O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	WWZVSCJTMPYTLY-UHFFFAOYSA-N
M.W :	112.13	Pubchem ID :	2736151
Synonyms :

Calculated chemistry of [ 25090-33-9 ]

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.5
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	29.65
TPSA :	26.3 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.74 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.44
Log Po/w (XLOGP3) :	0.34
Log Po/w (WLOGP) :	0.88
Log Po/w (MLOGP) :	-0.04
Log Po/w (SILICOS-IT) :	1.57
Consensus Log Po/w :	0.84

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-0.68
Solubility :	23.2 mg/ml ; 0.207 mol/l
Class :	Very soluble
Log S (Ali) :	-0.46
Solubility :	39.2 mg/ml ; 0.35 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.65
Solubility :	25.2 mg/ml ; 0.225 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.78

Safety of [ 25090-33-9 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H317-H319	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 25090-33-9 ]

* 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.

Downstream synthetic route of [ 25090-33-9 ]

[ 25090-33-9 ] Synthesis Path-Downstream 1~79

1
[ 25090-33-9 ]
[ 3119-93-5 ]
[ 63899-26-3 ]

Reference： [1]Soviet progress in chemistry,1977,vol. 43,p. 39 - 42
Ukrainskii Khimicheskii Zhurnal (Russian Edition),1977,vol. 43,p. 713 - 716

2
[ 78637-85-1 ]
[ 25090-33-9 ]
3-[(5Z,7E,13Z,15E)-14-(3-Hydroxy-propyl)-4H,12H-2,10-dithia-4,8,12,16-tetraaza-dicyclopenta[a,h]cyclotetradecen-6-yl]-propan-1-ol [ No CAS ]

Reference： [1]Chemische Berichte,1985,vol. 118,p. 2565 - 2570

3
[ 69549-51-5 ]
[ 25090-33-9 ]

Reference： [1]Synthesis,1982,p. 673 - 677
[2]Chemische Berichte,1982,vol. 115,p. 1657 - 1661

4
[ 1076-38-6 ]
[ 25090-33-9 ]
[ 132387-94-1 ]
3-(3-hydroxypropyl)-2-methoxy-2H,5H-pyrano<3,2-c><1>benzopyran-5-one [ No CAS ]

Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 1865 - 1878

5
[ 81927-47-1 ]
[ 25090-33-9 ]
[ 81927-46-0 ]

Reference： [1]Chemische Berichte,1982,vol. 115,p. 1657 - 1661

6
[ 38608-07-0 ]
[ 25090-33-9 ]
[ 81927-45-9 ]

Reference： [1]Chemische Berichte,1982,vol. 115,p. 1657 - 1661

7
[ 25090-33-9 ]
[ 41309-43-7 ]
[ 117361-34-9 ]

Reference： [1]Helvetica Chimica Acta,1988,vol. 71,p. 168 - 194

8
[ 25090-33-9 ]
[ 13200-60-7 ]
[((Z)-2-Formyl-5-hydroxy-pent-1-enyl)-methyl-amino]-acetic acid ethyl ester [ No CAS ]

Reference： [1]Synthesis,1989,p. 337 - 340

9
[ 25090-33-9 ]
[ 6436-90-4 ]
[Benzyl-((Z)-2-formyl-5-hydroxy-pent-1-enyl)-amino]-acetic acid ethyl ester [ No CAS ]

Reference： [1]Synthesis,1989,p. 337 - 340

10
[ 25090-33-9 ]
[ 1779-49-3 ]
[ 87567-27-9 ]

Reference： [1]Chemische Berichte,1986,vol. 119,p. 3204 - 3207

11
[ 25090-33-9 ]
[ 76143-53-8 ]
[ 83725-00-2 ]

Reference： [1]Synthesis,1982,p. 673 - 677

12
[ 25090-33-9 ]
[ 81927-49-3 ]

Reference： [1]Chemische Berichte,1982,vol. 115,p. 1657 - 1661

13
[ 25090-33-9 ]
[ 76143-53-8 ]
[ 64-19-7 ]
[ 136873-52-4 ]

Reference： [1]Synthesis,1982,p. 673 - 677

14
[ 25090-33-9 ]
[ 64-19-7 ]
[ 1225387-53-0 ]
[ 83725-01-3 ]

Reference： [1]Synthesis,1982,p. 673 - 677
[2]Bioorganic and Medicinal Chemistry,2008,vol. 16,p. 7167 - 7176

15
[ 25090-33-9 ]
[ 64-19-7 ]
[ 31230-17-8 ]
[ 136899-80-4 ]

Reference： [1]Synthesis,1982,p. 673 - 677

16
[ 25090-33-9 ]
[ 64-19-7 ]
[ 16115-82-5 ]
Acetic acid 3-(3-nitro-pyrazolo[1,5-a]pyrimidin-6-yl)-propyl ester [ No CAS ]

Reference： [1]Synthesis,1982,p. 673 - 677

17
[ 25090-33-9 ]
[ 3171-45-7 ]
[ 81927-44-8 ]

Reference： [1]Chemische Berichte,1982,vol. 115,p. 1657 - 1661

18
[ 25090-33-9 ]
[ 1225387-53-0 ]
[ 83724-97-4 ]

Reference： [1]Synthesis,1982,p. 673 - 677

19
[ 25090-33-9 ]
[ 31230-17-8 ]
[ 83724-99-6 ]

Reference： [1]Synthesis,1982,p. 673 - 677

20
[ 25090-33-9 ]
[ 95-54-5 ]
[ 81927-43-7 ]

Reference： [1]Chemische Berichte,1982,vol. 115,p. 1657 - 1661

21
[ 25090-33-9 ]
[ 616-34-2 ]
((Z)-2-Formyl-5-hydroxy-pent-1-enylamino)-acetic acid methyl ester [ No CAS ]

Reference： [1]Synthesis,1989,p. 337 - 340

22
[ 25090-33-9 ]
[ 16115-82-5 ]
[ 83724-98-5 ]

Reference： [1]Synthesis,1982,p. 673 - 677

23
[ 25090-33-9 ]
[ 1187-42-4 ]
[ 81927-48-2 ]

Reference： [1]Chemische Berichte,1982,vol. 115,p. 1657 - 1661

24
[ 25090-33-9 ]
[ 55904-36-4 ]
3-[(5Z,7E,13Z,15E)-14-(3-Hydroxy-propyl)-4H,12H-2,10-dithia-1,3,4,8,9,11,12,16-octaaza-dicyclopenta[a,h]cyclotetradecen-6-yl]-propan-1-ol [ No CAS ]

Reference： [1]Chemische Berichte,1985,vol. 118,p. 1278 - 1281

25
[ 16408-83-6 ]
[ 25090-33-9 ]
7,7-difluoro-5-hydroxy-3,4,7,7a-tetrahydro-2H-cyclopenta[b]pyran-6-one [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1999,vol. 64,p. 4025 - 4029

26
[ 25090-33-9 ]
[ 95804-09-4 ]
3-(2-phenyl-pyrimidin-5-yl)-propan-1-ol [ No CAS ]

Reference： [1]Synlett,1999,p. 1265 - 1267

28
[ 292638-84-7 ]
[ 25090-33-9 ]
2-(1-phenyl-ethyl)-5,6-dihydro-4H-pyran-3-carbaldehyde [ No CAS ]
2-phenethyl-5,6-dihydro-4H-pyran-3-carbaldehyde [ No CAS ]

Reference： [1]Chemistry Letters,2001,p. 386 - 387

29
[ 25090-33-9 ]
[ 558-37-2 ]
2-(3,3-dimethyl-butyl)-5,6-dihydro-4H-pyran-3-carbaldehyde [ No CAS ]

Reference： [1]Chemistry Letters,2001,p. 386 - 387

30
[ 25090-33-9 ]
[ 74-85-1 ]
2-ethyl-5,6-dihydro-4H-pyran-3-carbaldehyde [ No CAS ]

Reference： [1]Chemistry Letters,2001,p. 386 - 387

31
[ 25090-33-9 ]
[ 78-08-0 ]
C₁₄H₂₆O₅Si [ No CAS ]

Reference： [1]Chemistry Letters,2001,p. 386 - 387

32
[ 25090-33-9 ]
[ 762-72-1 ]
2-(3-trimethylsilanyl-propyl)-5,6-dihydro-4H-pyran-3-carbaldehyde [ No CAS ]

Reference： [1]Chemistry Letters,2001,p. 386 - 387

33
[ 25090-33-9 ]
[ 754-05-2 ]
2-(2-trimethylsilanyl-ethyl)-5,6-dihydro-4H-pyran-3-carbaldehyde [ No CAS ]

Reference： [1]Chemistry Letters,2001,p. 386 - 387

34
[ 110-87-2 ]
(4,6-dichloro-2-oxo-2H-[1,3,5]triazin-1-ylmethylene)-dimethyl-ammonium; chloride [ No CAS ]
[ 25090-33-9 ]

Reference： [1]Journal of the Chinese Chemical Society,2004,vol. 51,p. 671 - 674

35
[ 25090-33-9 ]
[ 104337-49-7 ]

Reference： [1]Chemische Berichte,1986,vol. 119,p. 3204 - 3207

36
[ 25090-33-9 ]
[ 104337-50-0 ]

Reference： [1]Chemische Berichte,1986,vol. 119,p. 3204 - 3207

37
[ 25090-33-9 ]
[ 104337-52-2 ]

Reference： [1]Chemische Berichte,1986,vol. 119,p. 3204 - 3207

38
[ 25090-33-9 ]
[ 104351-07-7 ]

Reference： [1]Chemische Berichte,1986,vol. 119,p. 3204 - 3207

39
[ 25090-33-9 ]
[ 104337-51-1 ]

Reference： [1]Chemische Berichte,1986,vol. 119,p. 3204 - 3207

40
[ 25090-33-9 ]
cis-5,6,7,7a-tetrahydrocyclopentapyran-1(3aH)-one [ No CAS ]

Reference： [1]Helvetica Chimica Acta,1988,vol. 71,p. 168 - 194

41
[ 25090-33-9 ]
[ 117360-72-2 ]

Reference： [1]Helvetica Chimica Acta,1988,vol. 71,p. 168 - 194

42
[ 25090-33-9 ]
[ 123476-49-3 ]

Reference： [1]Synthesis,1989,p. 337 - 340

43
[ 25090-33-9 ]
[ 123476-56-2 ]

Reference： [1]Synthesis,1989,p. 337 - 340

44
[ 25090-33-9 ]
[ 123476-64-2 ]

Reference： [1]Synthesis,1989,p. 337 - 340

45
[ 110-87-2 ]
9,10-dioxo-9,10-dihydro-anthracene-1-selenic acid methyl ester [ No CAS ]
[ 25090-33-9 ]

Reference： [1]Chemische Berichte,1982,vol. 115,p. 1657 - 1661

46
[ 78637-85-1 ]
[ 25090-33-9 ]
[ 6018-89-9 ]
[ 97385-96-1 ]