Home Cart 0 Sign in  

[ CAS No. 517920-75-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 517920-75-1
Chemical Structure| 517920-75-1
Structure of 517920-75-1 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 517920-75-1 ]

Related Doc. of [ 517920-75-1 ]

Alternatived Products of [ 517920-75-1 ]

Product Details of [ 517920-75-1 ]

CAS No. :517920-75-1 MDL No. :MFCD03094280
Formula : C6H7Cl2FN2 Boiling Point : -
Linear Structure Formula :- InChI Key :TWYLYPMRIHFEQN-UHFFFAOYSA-N
M.W : 197.04 Pubchem ID :25067375
Synonyms :

Calculated chemistry of [ 517920-75-1 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 45.58
TPSA : 38.05 Ų

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) : -5.59 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.69
Log Po/w (WLOGP) : 2.8
Log Po/w (MLOGP) : 2.72
Log Po/w (SILICOS-IT) : 1.42
Consensus Log Po/w : 1.93

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.09
Solubility : 0.159 mg/ml ; 0.000805 mol/l
Class : Soluble
Log S (Ali) : -3.14
Solubility : 0.142 mg/ml ; 0.000722 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.97
Solubility : 0.209 mg/ml ; 0.00106 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.81

Safety of [ 517920-75-1 ]

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 [ 517920-75-1 ]

* 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 [ 517920-75-1 ]
  • Downstream synthetic route of [ 517920-75-1 ]

[ 517920-75-1 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 650578-82-8 ]
  • [ 517920-75-1 ]
Reference: [1] Patent: US2007/27178, 2007, A1, . Location in patent: Page/Page column 21
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 517920-75-1 ]

Fluorinated Building Blocks

Chemical Structure| 64172-78-7

[ 64172-78-7 ]

(4-Chloro-2-fluorophenyl)hydrazine hydrochloride

Similarity: 0.91

Chemical Structure| 2106-04-9

[ 2106-04-9 ]

3-Chloro-2-fluoroaniline

Similarity: 0.87

Chemical Structure| 1138036-54-0

[ 1138036-54-0 ]

(2-Chloro-3-fluorophenyl)hydrazine hydrochloride

Similarity: 0.85

Chemical Structure| 2613-30-1

[ 2613-30-1 ]

4-Chloro-2,5-difluoroaniline

Similarity: 0.84

Chemical Structure| 502496-25-5

[ 502496-25-5 ]

(2-Chloro-5-fluorophenyl)hydrazine hydrochloride

Similarity: 0.83

Aryls

Chemical Structure| 64172-78-7

[ 64172-78-7 ]

(4-Chloro-2-fluorophenyl)hydrazine hydrochloride

Similarity: 0.91

Chemical Structure| 2106-04-9

[ 2106-04-9 ]

3-Chloro-2-fluoroaniline

Similarity: 0.87

Chemical Structure| 1138036-54-0

[ 1138036-54-0 ]

(2-Chloro-3-fluorophenyl)hydrazine hydrochloride

Similarity: 0.85

Chemical Structure| 2613-30-1

[ 2613-30-1 ]

4-Chloro-2,5-difluoroaniline

Similarity: 0.84

Chemical Structure| 502496-25-5

[ 502496-25-5 ]

(2-Chloro-5-fluorophenyl)hydrazine hydrochloride

Similarity: 0.83

Chlorides

Chemical Structure| 64172-78-7

[ 64172-78-7 ]

(4-Chloro-2-fluorophenyl)hydrazine hydrochloride

Similarity: 0.91

Chemical Structure| 2106-04-9

[ 2106-04-9 ]

3-Chloro-2-fluoroaniline

Similarity: 0.87

Chemical Structure| 1138036-54-0

[ 1138036-54-0 ]

(2-Chloro-3-fluorophenyl)hydrazine hydrochloride

Similarity: 0.85

Chemical Structure| 2613-30-1

[ 2613-30-1 ]

4-Chloro-2,5-difluoroaniline

Similarity: 0.84

Chemical Structure| 502496-25-5

[ 502496-25-5 ]

(2-Chloro-5-fluorophenyl)hydrazine hydrochloride

Similarity: 0.83

Amines

Chemical Structure| 64172-78-7

[ 64172-78-7 ]

(4-Chloro-2-fluorophenyl)hydrazine hydrochloride

Similarity: 0.91

Chemical Structure| 2106-04-9

[ 2106-04-9 ]

3-Chloro-2-fluoroaniline

Similarity: 0.87

Chemical Structure| 1138036-54-0

[ 1138036-54-0 ]

(2-Chloro-3-fluorophenyl)hydrazine hydrochloride

Similarity: 0.85

Chemical Structure| 2613-30-1

[ 2613-30-1 ]

4-Chloro-2,5-difluoroaniline

Similarity: 0.84

Chemical Structure| 502496-25-5

[ 502496-25-5 ]

(2-Chloro-5-fluorophenyl)hydrazine hydrochloride

Similarity: 0.83

Hydrazines

Chemical Structure| 64172-78-7

[ 64172-78-7 ]

(4-Chloro-2-fluorophenyl)hydrazine hydrochloride

Similarity: 0.91

Chemical Structure| 1138036-54-0

[ 1138036-54-0 ]

(2-Chloro-3-fluorophenyl)hydrazine hydrochloride

Similarity: 0.85

Chemical Structure| 502496-25-5

[ 502496-25-5 ]

(2-Chloro-5-fluorophenyl)hydrazine hydrochloride

Similarity: 0.83

Chemical Structure| 497959-29-2

[ 497959-29-2 ]

(2-Chloro-4-fluorophenyl)hydrazine hydrochloride

Similarity: 0.80

Chemical Structure| 529512-79-6

[ 529512-79-6 ]

(2-Chloro-6-fluorophenyl)hydrazine hydrochloride

Similarity: 0.76