Home Cart 0 Sign in  

[ CAS No. 174634-09-4 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 174634-09-4
Chemical Structure| 174634-09-4
Structure of 174634-09-4 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 174634-09-4 ]

Related Doc. of [ 174634-09-4 ]

Alternatived Products of [ 174634-09-4 ]

Product Details of [ 174634-09-4 ]

CAS No. :174634-09-4 MDL No. :MFCD00943251
Formula : C20H21Cl2N3O2 Boiling Point : -
Linear Structure Formula :- InChI Key :HAYAYGFVSIWSGQ-UHFFFAOYSA-N
M.W : 406.31 Pubchem ID :135413532
Synonyms :
BMS-247615 dihydrochloride;TAS 103 (hydrochloride);BMS-247615 HCl,;BMS247615;TAS 103 HCl;TAS103;TAS-103 dihydrochloride

Calculated chemistry of [ 174634-09-4 ]

Physicochemical Properties

Num. heavy atoms : 26
Num. arom. heavy atoms : 16
Fraction Csp3 : 0.2
Num. rotatable bonds : 4
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 106.22
TPSA : 65.46 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.23 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 4.68
Log Po/w (WLOGP) : 3.74
Log Po/w (MLOGP) : 2.07
Log Po/w (SILICOS-IT) : 3.21
Consensus Log Po/w : 2.74

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.27
Solubility : 0.00197 mg/ml ; 0.00000534 mol/l
Class : Moderately soluble
Log S (Ali) : -5.78
Solubility : 0.000611 mg/ml ; 0.00000165 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -6.75
Solubility : 0.0000662 mg/ml ; 0.000000179 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.99

Safety of [ 174634-09-4 ]

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
[ 174634-09-4 ]

Chemical Structure| 174634-08-3

A596571[ 174634-08-3 ]

Tas-103

Reason: Free-salt