Home Cart 0 Sign in  
X

[ CAS No. 1257877-25-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
3d Animation Molecule Structure of 1257877-25-0
Chemical Structure| 1257877-25-0
Chemical Structure| 1257877-25-0
Structure of 1257877-25-0 * 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 [ 1257877-25-0 ]

Related Doc. of [ 1257877-25-0 ]

Alternatived Products of [ 1257877-25-0 ]
Product Citations

Product Details of [ 1257877-25-0 ]

CAS No. :1257877-25-0 MDL No. :MFCD22380360
Formula : C9H11N3S Boiling Point : -
Linear Structure Formula :- InChI Key :ZCQRWXMKLNFBST-UHFFFAOYSA-N
M.W : 193.27 Pubchem ID :42873909
Synonyms :

Calculated chemistry of [ 1257877-25-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.22
Num. rotatable bonds : 2
Num. H-bond acceptors : 1.0
Num. H-bond donors : 2.0
Molar Refractivity : 56.08
TPSA : 82.94 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.26 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.42
Log Po/w (XLOGP3) : 1.71
Log Po/w (WLOGP) : 2.29
Log Po/w (MLOGP) : 0.89
Log Po/w (SILICOS-IT) : 3.29
Consensus Log Po/w : 1.92

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.55
Solubility : 0.541 mg/ml ; 0.0028 mol/l
Class : Soluble
Log S (Ali) : -3.07
Solubility : 0.165 mg/ml ; 0.000856 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.46
Solubility : 0.0673 mg/ml ; 0.000348 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.63

Safety of [ 1257877-25-0 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338 UN#:3259
Hazard Statements:H302-H318 Packing Group:
GHS Pictogram:
Recommend Products
Same Skeleton Products
Historical Records