Home Cart 0 Sign in  
X

[ CAS No. 74192-47-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 74192-47-5
Chemical Structure| 74192-47-5
Chemical Structure| 74192-47-5
Structure of 74192-47-5 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 74192-47-5 ]

Related Doc. of [ 74192-47-5 ]

Alternatived Products of [ 74192-47-5 ]

Product Details of [ 74192-47-5 ]

CAS No. :74192-47-5 MDL No. :MFCD09745178
Formula : C8H6N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :SCDUHKOJSMYVPO-UHFFFAOYSA-N
M.W : 162.15 Pubchem ID :10034907
Synonyms :

Calculated chemistry of [ 74192-47-5 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 42.52
TPSA : 87.11 Ų

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) : -6.52 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.51
Log Po/w (XLOGP3) : 1.08
Log Po/w (WLOGP) : 0.85
Log Po/w (MLOGP) : -0.72
Log Po/w (SILICOS-IT) : 0.47
Consensus Log Po/w : 0.44

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.83
Solubility : 2.4 mg/ml ; 0.0148 mol/l
Class : Very soluble
Log S (Ali) : -2.5
Solubility : 0.511 mg/ml ; 0.00315 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.49
Solubility : 5.27 mg/ml ; 0.0325 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.51

Safety of [ 74192-47-5 ]

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 [ 74192-47-5 ]

* 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 [ 74192-47-5 ]
  • Downstream synthetic route of [ 74192-47-5 ]

[ 74192-47-5 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 159847-80-0 ]
  • [ 74192-47-5 ]
Reference: [1] Patent: WO2004/22529, 2004, A2, . Location in patent: Page 33
  • 2
  • [ 615-57-6 ]
  • [ 74192-47-5 ]
Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1994, # 13, p. 1679 - 1688
  • 3
  • [ 19619-22-8 ]
  • [ 74192-47-5 ]
  • [ 99767-45-0 ]
Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1994, # 13, p. 1679 - 1688
  • 4
  • [ 19619-22-8 ]
  • [ 74192-47-5 ]
  • [ 99767-45-0 ]
Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1994, # 13, p. 1679 - 1688
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 74192-47-5 ]

Aryls

Chemical Structure| 159847-71-9

[ 159847-71-9 ]

3-Amino-4-cyanobenzoic acid

Similarity: 0.98

Chemical Structure| 159847-80-0

[ 159847-80-0 ]

Methyl 4-amino-3-cyanobenzoate

Similarity: 0.91

Chemical Structure| 99767-45-0

[ 99767-45-0 ]

2-Amino-5-cyanobenzoic acid

Similarity: 0.89

Chemical Structure| 159847-83-3

[ 159847-83-3 ]

Methyl 2-amino-4-cyanobenzoate

Similarity: 0.85

Chemical Structure| 2486-70-6

[ 2486-70-6 ]

4-Amino-3-methylbenzoic acid

Similarity: 0.85

Amines

Chemical Structure| 159847-71-9

[ 159847-71-9 ]

3-Amino-4-cyanobenzoic acid

Similarity: 0.98

Chemical Structure| 159847-80-0

[ 159847-80-0 ]

Methyl 4-amino-3-cyanobenzoate

Similarity: 0.91

Chemical Structure| 99767-45-0

[ 99767-45-0 ]

2-Amino-5-cyanobenzoic acid

Similarity: 0.89

Chemical Structure| 159847-83-3

[ 159847-83-3 ]

Methyl 2-amino-4-cyanobenzoate

Similarity: 0.85

Chemical Structure| 2486-70-6

[ 2486-70-6 ]

4-Amino-3-methylbenzoic acid

Similarity: 0.85

Carboxylic Acids

Chemical Structure| 159847-71-9

[ 159847-71-9 ]

3-Amino-4-cyanobenzoic acid

Similarity: 0.98

Chemical Structure| 99767-45-0

[ 99767-45-0 ]

2-Amino-5-cyanobenzoic acid

Similarity: 0.89

Chemical Structure| 2486-70-6

[ 2486-70-6 ]

4-Amino-3-methylbenzoic acid

Similarity: 0.85

Chemical Structure| 2458-12-0

[ 2458-12-0 ]

3-Amino-4-methylbenzoic acid

Similarity: 0.83

Chemical Structure| 4919-40-8

[ 4919-40-8 ]

4-Amino-3,5-dimethylbenzoic acid

Similarity: 0.83

Nitriles

Chemical Structure| 159847-71-9

[ 159847-71-9 ]

3-Amino-4-cyanobenzoic acid

Similarity: 0.98

Chemical Structure| 159847-80-0

[ 159847-80-0 ]

Methyl 4-amino-3-cyanobenzoate

Similarity: 0.91

Chemical Structure| 99767-45-0

[ 99767-45-0 ]

2-Amino-5-cyanobenzoic acid

Similarity: 0.89

Chemical Structure| 159847-83-3

[ 159847-83-3 ]

Methyl 2-amino-4-cyanobenzoate

Similarity: 0.85

Chemical Structure| 159847-81-1

[ 159847-81-1 ]

Methyl 2-amino-5-cyanobenzoate

Similarity: 0.83