[ CAS No. 25100-12-3 ]

Name: 25100-12-3|N-Cyclohexylhydroxylamine hydrochloride|95%
Brand: Ambeed
SKU: A139092
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Quality Control of [ 25100-12-3 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 25100-12-3 ]

SDS Specification

Alternatived Products of [ 25100-12-3 ]

Product Details of [ 25100-12-3 ]

CAS No. :	25100-12-3	MDL No. :	MFCD00012565
Formula :	C₆H₁₄ClNO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	SSVAHXZUFFSFER-UHFFFAOYSA-N
M.W :	151.63 g/mol	Pubchem ID :	3084432
Synonyms :

Calculated chemistry of [ 25100-12-3 ]

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	39.34
TPSA :	32.26 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) :	-5.86 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	1.92
Log Po/w (WLOGP) :	2.1
Log Po/w (MLOGP) :	1.38
Log Po/w (SILICOS-IT) :	0.74
Consensus Log Po/w :	1.23

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.92
Solubility :	1.81 mg/ml ; 0.0119 mol/l
Class :	Very soluble
Log S (Ali) :	-2.22
Solubility :	0.911 mg/ml ; 0.00601 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-0.74
Solubility :	27.8 mg/ml ; 0.183 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.78

Safety of [ 25100-12-3 ]

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

Application In Synthesis of [ 25100-12-3 ]

* 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.

Downstream synthetic route of [ 25100-12-3 ]

[ 25100-12-3 ] Synthesis Path-Downstream 1~58

1
[ 556-64-9 ]
[ 25100-12-3 ]
3-Cyclohexyl-2-methylisothioharnstoff N-oxid [ No CAS ]

Reference： [1]Archiv der Pharmazie,1988,vol. 321,p. 769 - 770

2
[ 922-68-9 ]
[ 25100-12-3 ]
[ 101043-22-5 ]

Reference： [1]Journal of the Chemical Society. Chemical communications,1985,p. 1239 - 1241

3
[ 34713-70-7 ]
[ 25100-12-3 ]
[ 100812-01-9 ]

Reference： [1]Journal of Organic Chemistry,1986,vol. 51,p. 1383 - 1389
[2]Journal of the Chemical Society. Chemical communications,1988,p. 1503 - 1504

4
[ 25100-12-3 ]
6-(6-Methoxy-naphthalen-2-yl)-6-oxo-hexanoyl chloride [ No CAS ]
[ 110842-45-0 ]

Reference： [1]European Journal of Medicinal Chemistry,1991,vol. 26,p. 159 - 166

5
[ 25100-12-3 ]
[ 106625-83-6 ]
[ 106625-85-8 ]

Reference： [1]Journal of Organic Chemistry,1987,vol. 52,p. 877 - 887

6
[ 25100-12-3 ]
[ 106625-83-6 ]
[ 106625-90-5 ]

Reference： [1]Journal of Organic Chemistry,1987,vol. 52,p. 877 - 887

7
[ 25100-12-3 ]
[ 106625-75-6 ]
[ 106625-84-7 ]
[ 106625-84-7 ]

Reference： [1]Journal of Organic Chemistry,1987,vol. 52,p. 877 - 887

8
[ 25100-12-3 ]
[ 123-38-6 ]
C₉H₁₇NO [ No CAS ]

Reference： [1]Journal of the Chemical Society. Chemical communications,1985,p. 1239 - 1241

9
[ 25100-12-3 ]
[ 123-72-8 ]
[ 5857-79-4 ]

Reference： [1]Journal of Organic Chemistry,1986,vol. 51,p. 1383 - 1389

10
[ 25100-12-3 ]
[ 4755-77-5 ]
N-Cyclohexyl-N-hydroxyoxamsaeure-ethylester [ No CAS ]

Reference： [1]Archiv der Pharmazie,1987,vol. 320,p. 382 - 384

11
[ 25100-12-3 ]
[ 76-93-7 ]
[ 74361-49-2 ]
O-Benziloyl-N-cyclohexylhydroxylamin [ No CAS ]

Reference： [1]Archiv der Pharmazie,1980,vol. 313,p. 377 - 379

12
[ 25100-12-3 ]
[ 78-84-2 ]
[ 5857-80-7 ]

Reference： [1]Journal of Organic Chemistry,1986,vol. 51,p. 1383 - 1389

13
[ 25100-12-3 ]
[ 103-80-0 ]
[ 57217-54-6 ]

Reference： [1]Journal of Organic Chemistry,1992,vol. 57,p. 5700 - 5707

14
[ 25100-12-3 ]
[ 100-50-5 ]
[ 100812-00-8 ]

Reference： [1]Journal of Organic Chemistry,1986,vol. 51,p. 1383 - 1389

15
[ 25100-12-3 ]
[ 2043-61-0 ]
[ 60795-42-8 ]

Reference： [1]Journal of Organic Chemistry,1986,vol. 51,p. 1383 - 1389

16
[ 25100-12-3 ]
[ 87-13-8 ]
[ 78514-48-4 ]

Reference： [1]Journal of Organic Chemistry,1981,vol. 46,p. 4068 - 4069

17
[ 25100-12-3 ]
[ 123-73-9 ]
C₁₀H₁₇NO [ No CAS ]

Reference： [1]Journal of the Chemical Society. Chemical communications,1985,p. 1239 - 1241

18
[ 25100-12-3 ]
[ 166331-37-9 ]
(1R, 4R, 5R, 8S)-(+)-2-cyclohexyl-7,8-dimethyl-3-oxa-4-phenyl-2,7-diazabicyclo<3.3.0>octan-6-one [ No CAS ]

Reference： [1]Tetrahedron,1995,vol. 51,p. 5689 - 5700

19
[ 25100-12-3 ]
[ 87486-90-6 ]
N-cyclohexyl-2-(6,11-dihydro-11-oxodibenz[b,e]oxepin-2-yl)-N-hydroxyacetamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1996,vol. 39,p. 246 - 252

20
[ 25100-12-3 ]
[ 135810-01-4 ]
3-(6,11-dihydro-11-oxodibenz[b,e]oxepin-2-yl)-N-cyclohexyl-N-hydroxypropanamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1996,vol. 39,p. 246 - 252

21
[ 28920-43-6 ]
[ 25100-12-3 ]
C₂₁H₂₃NO₃ [ No CAS ]

Reference： [1]Chemical Communications,1997,p. 2005 - 2006

22
[ 25100-12-3 ]
acetic acid 2-chlorocarbonyl-5-formyl-phenyl ester [ No CAS ]
[ 279215-19-9 ]

Reference： [1]Tetrahedron Letters,2000,vol. 41,p. 2295 - 2298

23
[ 24424-99-5 ]
[ 25100-12-3 ]
N-cyclohexyl-O-tert-butyloxycarbonylhydroxylamine [ No CAS ]
[ 277751-40-3 ]

Reference： [1]Journal of Medicinal Chemistry,2000,vol. 43,p. 1705 - 1713

24
[ 504-02-9 ]
[ 25100-12-3 ]
3-(cyclohexyl-hydroxy-amino)-cyclohex-2-enone [ No CAS ]

Reference： [1]European Journal of Organic Chemistry,2003,p. 190 - 208

25
[ 140-29-4 ]
[ 25100-12-3 ]
N-cyclohexyl-N-hydroxy-2-phenyl-acetamidine [ No CAS ]

Reference： [1]Organic Letters,2005,vol. 7,p. 1391 - 1393

26
[ 25100-12-3 ]
[ 75-36-5 ]
[ 279215-16-6 ]
acetic acid 4-(cyclohexyl-hydroxy-carbamoyl)-3-hydroxy-2,6-dipropyl-phenyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2005,vol. 48,p. 4457 - 4468

27
[ 25100-12-3 ]
[ 5222-73-1 ]
[ 100749-02-8 ]

Reference： [1]Journal of Organic Chemistry,2005,vol. 70,p. 10792 - 10802

28
[ 25100-12-3 ]
[ 18162-48-6 ]
C₁₂H₂₇NOSi [ No CAS ]

Reference： [1]Tetrahedron Letters,2007,vol. 48,p. 8029 - 8033

29
[ 25100-12-3 ]
3-[cyclohexyl(hydroxy)amino]-4-(hexylamino)-3-cyclobutene-1,2-dione [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2005,vol. 70,p. 10792 - 10802

30
[ 25100-12-3 ]
3-benzyl-2-cyclohexyl-5-ethoxycarbonylmethyl-2,5-dihydro-[1,2,4]oxadiazole-5-carboxylic acid ethyl ester [ No CAS ]

Reference： [1]Organic Letters,2005,vol. 7,p. 1391 - 1393

31
[ 25100-12-3 ]
[ 135064-58-3 ]

Reference： [1]Journal of Medicinal Chemistry,2000,vol. 43,p. 1705 - 1713

32
[ 25100-12-3 ]
[ 277751-41-4 ]

Reference： [1]Journal of Medicinal Chemistry,2000,vol. 43,p. 1705 - 1713

33
[ 25100-12-3 ]
(R)-2-(Cyclohexyl-ethoxy-carbamoyl)-cyclopent-2-enecarboxylic acid [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2000,vol. 43,p. 1705 - 1713

34
[ 25100-12-3 ]
[ 277751-42-5 ]

Reference： [1]Journal of Medicinal Chemistry,2000,vol. 43,p. 1705 - 1713

35
[ 25100-12-3 ]
(R)-Cyclopent-2-ene-1,2-dicarboxylic acid 1-(4-carbamimidoyl-benzylamide) 2-(cyclohexyl-ethoxy-amide) [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2000,vol. 43,p. 1705 - 1713

36
[ 25100-12-3 ]
[4-([(R)-2-(Cyclohexyl-ethoxy-carbamoyl)-cyclopent-2-enecarbonyl]-amino}-methyl)-phenyl]-imino-methyl}-carbamic acid benzyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2000,vol. 43,p. 1705 - 1713

37
[ 25100-12-3 ]
2-cyclohexyl-3-oxo-2,3-dihydro-benzo[d]isoxazole-6-carbaldehyde [ No CAS ]

Reference： [1]Tetrahedron Letters,2000,vol. 41,p. 2295 - 2298

38
[ 25100-12-3 ]
C₁₈H₂₈NO [ No CAS ]