Home Cart 0 Sign in  

[ CAS No. 132089-38-4 ]

{[proInfo.proName]} ,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 132089-38-4
Chemical Structure| 132089-38-4
Structure of 132089-38-4 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Bulk Inquiry Add To Cart

Quality Control of [ 132089-38-4 ]

Related Doc. of [ 132089-38-4 ]

Alternatived Products of [ 132089-38-4 ]

Product Details of [ 132089-38-4 ]

CAS No. :132089-38-4 MDL No. :MFCD09743714
Formula : C12H9Cl2NO2S Boiling Point : -
Linear Structure Formula :- InChI Key :HVMLDBROWJVLEG-UHFFFAOYSA-N
M.W :302.18 g/mol Pubchem ID :15170577
Synonyms :

Calculated chemistry of [ 132089-38-4 ]

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 11
Fraction Csp3 : 0.17
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 73.66
TPSA : 67.43 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.01 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.36
Log Po/w (XLOGP3) : 4.42
Log Po/w (WLOGP) : 4.29
Log Po/w (MLOGP) : 2.98
Log Po/w (SILICOS-IT) : 5.14
Consensus Log Po/w : 4.04

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.69
Solubility : 0.00622 mg/ml ; 0.0000206 mol/l
Class : Moderately soluble
Log S (Ali) : -5.55
Solubility : 0.000844 mg/ml ; 0.00000279 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -5.51
Solubility : 0.000927 mg/ml ; 0.00000307 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.83

Safety of [ 132089-38-4 ]

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:
Historical Records

Related Functional Groups of
[ 132089-38-4 ]

Aryls

Chemical Structure| 1094355-53-9

[ 1094355-53-9 ]

2-(2,4-Dichlorophenyl)thiazole-4-carboxylic acid

Similarity: 0.89

Chemical Structure| 59937-01-8

[ 59937-01-8 ]

Ethyl 2-phenylthiazole-4-carboxylate

Similarity: 0.88

Chemical Structure| 7113-10-2

[ 7113-10-2 ]

2-Phenylthiazole-4-carboxylic acid

Similarity: 0.81

Chemical Structure| 885278-75-1

[ 885278-75-1 ]

Ethyl 2-(4-bromophenyl)thiazole-4-carboxylate

Similarity: 0.80

Chemical Structure| 914347-21-0

[ 914347-21-0 ]

Ethyl 5-bromo-2-phenylthiazole-4-carboxylate

Similarity: 0.79

Chlorides

Chemical Structure| 1094355-53-9

[ 1094355-53-9 ]

2-(2,4-Dichlorophenyl)thiazole-4-carboxylic acid

Similarity: 0.89

Chemical Structure| 932986-18-0

[ 932986-18-0 ]

N-(2-(2-(4-Chlorophenyl)thiazol-4-yl)ethyl)butyramide

Similarity: 0.68

Chemical Structure| 66869-77-0

[ 66869-77-0 ]

Ethyl 3-chlorothieno[2,3-b]pyridine-2-carboxylate

Similarity: 0.65

Chemical Structure| 59713-58-5

[ 59713-58-5 ]

Ethyl 4-chlorothieno[2,3-b]pyridine-5-carboxylate

Similarity: 0.65

Chemical Structure| 317318-97-1

[ 317318-97-1 ]

5-(Chloromethyl)-4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole

Similarity: 0.61

Esters

Chemical Structure| 59937-01-8

[ 59937-01-8 ]

Ethyl 2-phenylthiazole-4-carboxylate

Similarity: 0.88

Chemical Structure| 885278-75-1

[ 885278-75-1 ]

Ethyl 2-(4-bromophenyl)thiazole-4-carboxylate

Similarity: 0.80

Chemical Structure| 914347-21-0

[ 914347-21-0 ]

Ethyl 5-bromo-2-phenylthiazole-4-carboxylate

Similarity: 0.79

Chemical Structure| 944559-46-0

[ 944559-46-0 ]

Ethyl 2-(4-methylpent-2-enoyl)thiazole-4-carboxylate

Similarity: 0.73

Chemical Structure| 160060-21-9

[ 160060-21-9 ]

Ethyl 2-acetylthiazole-4-carboxylate

Similarity: 0.72

Related Parent Nucleus of
[ 132089-38-4 ]

Thiazoles

Chemical Structure| 1094355-53-9

[ 1094355-53-9 ]

2-(2,4-Dichlorophenyl)thiazole-4-carboxylic acid

Similarity: 0.89

Chemical Structure| 59937-01-8

[ 59937-01-8 ]

Ethyl 2-phenylthiazole-4-carboxylate

Similarity: 0.88

Chemical Structure| 7113-10-2

[ 7113-10-2 ]

2-Phenylthiazole-4-carboxylic acid

Similarity: 0.81

Chemical Structure| 885278-75-1

[ 885278-75-1 ]

Ethyl 2-(4-bromophenyl)thiazole-4-carboxylate

Similarity: 0.80

Chemical Structure| 914347-21-0

[ 914347-21-0 ]

Ethyl 5-bromo-2-phenylthiazole-4-carboxylate

Similarity: 0.79