Home Cart 0 Sign in  

[ CAS No. 183204-72-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 183204-72-0
Chemical Structure| 183204-72-0
Structure of 183204-72-0 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 183204-72-0 ]

Related Doc. of [ 183204-72-0 ]

Alternatived Products of [ 183204-72-0 ]

Product Details of [ 183204-72-0 ]

CAS No. :183204-72-0 MDL No. :
Formula : C9H12Cl2N4O2 Boiling Point : -
Linear Structure Formula :- InChI Key :KGHYQYACJRXCAT-UHFFFAOYSA-N
M.W : 279.12 Pubchem ID :9903778
Synonyms :
Tipiracil HCl;MA-1 hydrochloride;TPI;Tipiracil (hydrochloride)

Calculated chemistry of [ 183204-72-0 ]

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.44
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 3.0
Molar Refractivity : 72.14
TPSA : 92.81 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) : -7.92 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.12
Log Po/w (WLOGP) : 0.56
Log Po/w (MLOGP) : 0.54
Log Po/w (SILICOS-IT) : 2.31
Consensus Log Po/w : 0.71

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.78
Solubility : 4.68 mg/ml ; 0.0168 mol/l
Class : Very soluble
Log S (Ali) : -1.62
Solubility : 6.62 mg/ml ; 0.0237 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.97
Solubility : 0.297 mg/ml ; 0.00106 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.4

Safety of [ 183204-72-0 ]

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:
Same Skeleton Products
Historical Records

Similar Product of
[ 183204-72-0 ]

Chemical Structure| 183204-74-2

A532974[ 183204-74-2 ]

5-Chloro-6-((2-iminopyrrolidin-1-yl)methyl)pyrimidine-2,4(1H,3H)-dione

Reason: Free-salt