Home Cart 0 Sign in  
X

[ CAS No. 2368-53-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 2368-53-8
Chemical Structure| 2368-53-8
Chemical Structure| 2368-53-8
Structure of 2368-53-8 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 2368-53-8 ]

Related Doc. of [ 2368-53-8 ]

Alternatived Products of [ 2368-53-8 ]
Product Citations

Product Details of [ 2368-53-8 ]

CAS No. :2368-53-8 MDL No. :MFCD00012242
Formula : C6HCl2F3 Boiling Point : -
Linear Structure Formula :- InChI Key :UOGVNYNJSZHQCN-UHFFFAOYSA-N
M.W : 200.97 Pubchem ID :137563
Synonyms :

Calculated chemistry of [ 2368-53-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 36.34
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
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) : -5.06 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.01
Log Po/w (XLOGP3) : 3.48
Log Po/w (WLOGP) : 4.67
Log Po/w (MLOGP) : 4.75
Log Po/w (SILICOS-IT) : 4.42
Consensus Log Po/w : 3.87

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.68
Solubility : 0.0418 mg/ml ; 0.000208 mol/l
Class : Soluble
Log S (Ali) : -3.16
Solubility : 0.138 mg/ml ; 0.000688 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.47
Solubility : 0.00678 mg/ml ; 0.0000337 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.68

Safety of [ 2368-53-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501 UN#:N/A
Hazard Statements:H227-H315-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 2368-53-8 ]

* 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 [ 2368-53-8 ]
  • Downstream synthetic route of [ 2368-53-8 ]

[ 2368-53-8 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 2368-53-8 ]
  • [ 28314-80-9 ]
Reference: [1] Patent: WO2018/163210, 2018, A2,
  • 2
  • [ 319-88-0 ]
  • [ 372-38-3 ]
  • [ 2368-53-8 ]
  • [ 2106-40-3 ]
Reference: [1] Russian Journal of Organic Chemistry, 2000, vol. 36, # 10, p. 1488 - 1499
[2] Journal of Fluorine Chemistry, 1999, vol. 96, # 2, p. 175 - 185
  • 3
  • [ 319-88-0 ]
  • [ 2368-53-8 ]
  • [ 2106-40-3 ]
Reference: [1] Russian Journal of Organic Chemistry, 1994, vol. 30, # 8, p. 1336 - 1340[2] Zhurnal Organicheskoi Khimii, 1994, vol. 30, # 8, p. 1271 - 1275
[3] Russian Journal of Organic Chemistry, 2000, vol. 36, # 1, p. 132 - 133
  • 4
  • [ 2368-53-8 ]
  • [ 3743-86-0 ]
  • [ 2369-29-1 ]
Reference: [1] Russian Journal of Organic Chemistry, 2002, vol. 38, # 7, p. 1023 - 1029
Recommend Products
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 2368-53-8 ]

Fluorinated Building Blocks

Chemical Structure| 36556-37-3

[ 36556-37-3 ]

1,3-Dichloro-2,4-difluorobenzene

Similarity: 1.00

Chemical Structure| 2253-30-7

[ 2253-30-7 ]

1,5-Dichloro-2,4-difluorobenzene

Similarity: 1.00

Chemical Structure| 38361-37-4

[ 38361-37-4 ]

2-Chloro-1,3-difluorobenzene

Similarity: 0.96

Chemical Structure| 36556-33-9

[ 36556-33-9 ]

1,3,5-Trichloro-2-fluorobenzene

Similarity: 0.96

Chemical Structure| 1435-48-9

[ 1435-48-9 ]

2,4-Dichloro-1-fluorobenzene

Similarity: 0.96

Aryls

Chemical Structure| 36556-37-3

[ 36556-37-3 ]

1,3-Dichloro-2,4-difluorobenzene

Similarity: 1.00

Chemical Structure| 2253-30-7

[ 2253-30-7 ]

1,5-Dichloro-2,4-difluorobenzene

Similarity: 1.00

Chemical Structure| 38361-37-4

[ 38361-37-4 ]

2-Chloro-1,3-difluorobenzene

Similarity: 0.96

Chemical Structure| 36556-33-9

[ 36556-33-9 ]

1,3,5-Trichloro-2-fluorobenzene

Similarity: 0.96

Chemical Structure| 1435-48-9

[ 1435-48-9 ]

2,4-Dichloro-1-fluorobenzene

Similarity: 0.96

Chlorides

Chemical Structure| 36556-37-3

[ 36556-37-3 ]

1,3-Dichloro-2,4-difluorobenzene

Similarity: 1.00

Chemical Structure| 2253-30-7

[ 2253-30-7 ]

1,5-Dichloro-2,4-difluorobenzene

Similarity: 1.00

Chemical Structure| 38361-37-4

[ 38361-37-4 ]

2-Chloro-1,3-difluorobenzene

Similarity: 0.96

Chemical Structure| 36556-33-9

[ 36556-33-9 ]

1,3,5-Trichloro-2-fluorobenzene

Similarity: 0.96

Chemical Structure| 1435-48-9

[ 1435-48-9 ]

2,4-Dichloro-1-fluorobenzene

Similarity: 0.96