[ CAS No. 24134-26-7 ] {[proInfo.proName]}

Name: 24134-26-7|2,3-Dihydro-1H-benzo[d]imidazo[1,2-a]imidazole|98%
Brand: Ambeed
SKU: A143226
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3d Animation Molecule Structure of 24134-26-7

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Quality Control of [ 24134-26-7 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 24134-26-7 ]

SDS Specification

Alternatived Products of [ 24134-26-7 ]

Product Details of [ 24134-26-7 ]

CAS No. :	24134-26-7	MDL No. :	MFCD00805823
Formula :	C₉H₉N₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	DSOYHAWYIJNVGK-UHFFFAOYSA-N
M.W :	159.19	Pubchem ID :	400916
Synonyms :

Calculated chemistry of [ 24134-26-7 ]

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.22
Num. rotatable bonds :	0
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	51.12
TPSA :	29.85 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.23 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.27
Log Po/w (XLOGP3) :	1.46
Log Po/w (WLOGP) :	0.89
Log Po/w (MLOGP) :	1.43
Log Po/w (SILICOS-IT) :	1.25
Consensus Log Po/w :	1.26

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.3
Solubility :	0.795 mg/ml ; 0.00499 mol/l
Class :	Soluble
Log S (Ali) :	-1.69
Solubility :	3.23 mg/ml ; 0.0203 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.68
Solubility :	0.336 mg/ml ; 0.00211 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.93

Safety of [ 24134-26-7 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 24134-26-7 ]

* 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 [ 24134-26-7 ]
Downstream synthetic route of [ 24134-26-7 ]

[ 24134-26-7 ] Synthesis Path-Upstream 1~1

1
[ 151-56-4 ]
[ 5709-67-1 ]
[ 24134-26-7 ]

Reference： [1] Journal of Medicinal Chemistry, 1982, vol. 25, # 11, p. 1342 - 1346

[ 24134-26-7 ] Synthesis Path-Downstream 1~13

1
[ 151-56-4 ]
[ 5709-67-1 ]
[ 24134-26-7 ]

Reference： [1]Journal of Medicinal Chemistry,1982,vol. 25,p. 1342 - 1346

2
[ 84797-54-6 ]
[ 24134-26-7 ]

Yield	Reaction Conditions	Operation in experiment
97%	Heating;

Reference： [1]Anisimova, V. A.; Levchenko, M. V.; Koshchienko, Yu. V.; Pozharskii, A. F. [Chemistry of Heterocyclic Compounds, 1983, vol. 19, # 3, p. 344][Khimiya Geterotsiklicheskikh Soedinenii, 1983, # 3, p. 419]

3
[ 108-24-7 ]
[ 24134-26-7 ]
1-acetyl-2,3-dihydro-1H-imidazo<1,2-a>benzimidazole [ No CAS ]

Reference： [1]Polish Journal of Chemistry,1998,vol. 72,p. 2541 - 2545

4
[ 124-63-0 ]
[ 24134-26-7 ]
1-methanesulfonyl-2,3-dihydro-1H-1,3a,8-triaza-cyclopenta[a]indene [ No CAS ]

Reference： [1]Polish Journal of Chemistry,1998,vol. 72,p. 2541 - 2545

5
[ 98-09-9 ]
[ 24134-26-7 ]
1-benzenesulfonyl-2,3-dihydro-1H-1,3a,8-triaza-cyclopenta[a]indene [ No CAS ]

Reference： [1]Polish Journal of Chemistry,1998,vol. 72,p. 2541 - 2545

6
N-(4,5-dihydro-1H-imidazol-2-yl)-N-phenylhydroxylamine hydrochloride [ No CAS ]
[ 24134-26-7 ]

Reference： [1]Polish Journal of Chemistry,1998,vol. 72,p. 2541 - 2545

7
[ 2567-29-5 ]
[ 24134-26-7 ]
hydrobromide 4‘-(2,3-dihydro-9H-imidazo[1,2-a]benzimidazol-9-ylmethyl)biphenyl [ No CAS ]