Home Cart 0 Sign in  

[ CAS No. 1627607-87-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1627607-87-7
Chemical Structure| 1627607-87-7
Structure of 1627607-87-7 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1627607-87-7 ]

Related Doc. of [ 1627607-87-7 ]

Alternatived Products of [ 1627607-87-7 ]

Product Details of [ 1627607-87-7 ]

CAS No. :1627607-87-7 MDL No. :MFCD28133380
Formula : C23H26ClF4N3O3S Boiling Point : -
Linear Structure Formula :- InChI Key :ZADKZNVAJGEFLC-ZMBIFBSDSA-N
M.W : 535.98 Pubchem ID :78243738
Synonyms :
(R)-PFI-2 hydrochloride;(R)-PFI-2 (hydrochloride);(-)-PFI-2;PFI-2 hydrochloride

Calculated chemistry of [ 1627607-87-7 ]

Physicochemical Properties

Num. heavy atoms : 35
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.43
Num. rotatable bonds : 8
Num. H-bond acceptors : 9.0
Num. H-bond donors : 2.0
Molar Refractivity : 131.83
TPSA : 86.89 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.67 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 4.08
Log Po/w (WLOGP) : 5.54
Log Po/w (MLOGP) : 3.16
Log Po/w (SILICOS-IT) : 4.16
Consensus Log Po/w : 3.39

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.46
Solubility : 0.00186 mg/ml ; 0.00000347 mol/l
Class : Moderately soluble
Log S (Ali) : -5.61
Solubility : 0.00132 mg/ml ; 0.00000246 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -7.61
Solubility : 0.0000132 mg/ml ; 0.0000000247 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 4.11

Safety of [ 1627607-87-7 ]

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