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Chemistry
Heterocyclic Building Blocks
Thiazoles
2-(2-Formamidothiazol-4-yl)acetic acid
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Thiazoles
Amines Carboxylic Acids Aldehydes

[ CAS No. 75890-68-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 75890-68-5
Chemical Structure| 75890-68-5
Chemical Structure| 75890-68-5
Structure of 75890-68-5 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 75890-68-5 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification
Alternatived Products of [ 75890-68-5 ]

Product Details of [ 75890-68-5 ]

CAS No. :75890-68-5 MDL No. :MFCD06658944
Formula : C6H6N2O3S Boiling Point : -
Linear Structure Formula :- InChI Key :MXBRIEOXXKWWCE-UHFFFAOYSA-N
M.W : 186.19 Pubchem ID :11286886
Synonyms :

Calculated chemistry of [ 75890-68-5 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.17
Num. rotatable bonds : 4
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 43.55
TPSA : 107.53 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) : -7.46 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.78
Log Po/w (XLOGP3) : -0.03
Log Po/w (WLOGP) : 0.15
Log Po/w (MLOGP) : -0.94
Log Po/w (SILICOS-IT) : 1.16
Consensus Log Po/w : 0.23

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.02
Solubility : 17.8 mg/ml ; 0.0955 mol/l
Class : Very soluble
Log S (Ali) : -1.78
Solubility : 3.1 mg/ml ; 0.0167 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.07
Solubility : 15.7 mg/ml ; 0.0843 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.31

Safety of [ 75890-68-5 ]

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

Tags: 75890-68-5 synthesis path| 75890-68-5 SDS| 75890-68-5 COA| 75890-68-5 purity| 75890-68-5 application| 75890-68-5 NMR| 75890-68-5 COA| 75890-68-5 structure

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