Alternatived Products of [ 20101-92-2 ]
Product Details of [ 20101-92-2 ] CAS No. : 20101-92-2 MDL No. : MFCD02380705 Formula :
C8 H8 ClNO
Boiling Point : No data available Linear Structure Formula : - InChI Key : BFYGROHYLCZLGS-UHFFFAOYSA-N M.W :
169.61
Pubchem ID : 643286 Synonyms :
Calculated chemistry of [ 20101-92-2 ] Expand+ Physicochemical Properties Num. heavy atoms : 11 Num. arom. heavy atoms : 6 Fraction Csp3 : 0.12 Num. rotatable bonds : 2 Num. H-bond acceptors : 1.0 Num. H-bond donors : 1.0 Molar Refractivity : 44.13 TPSA : 43.09 Ų
Pharmacokinetics GI absorption : High BBB permeant : Yes P-gp substrate : No CYP1A2 inhibitor : Yes CYP2C19 inhibitor : No CYP2C9 inhibitor : No CYP2D6 inhibitor : No CYP3A4 inhibitor : No Log Kp (skin permeation) : -6.29 cm/s
Lipophilicity Log Po/w (iLOGP) : 1.43 Log Po/w (XLOGP3) : 1.47 Log Po/w (WLOGP) : 1.37 Log Po/w (MLOGP) : 1.84 Log Po/w (SILICOS-IT) : 1.94 Consensus Log Po/w : 1.61
Druglikeness Lipinski : 0.0 Ghose : None Veber : 0.0 Egan : 0.0 Muegge : 1.0 Bioavailability Score : 0.55
Water Solubility Log S (ESOL) : -2.09 Solubility : 1.38 mg/ml ; 0.00814 mol/l Class : Soluble Log S (Ali) : -1.98 Solubility : 1.77 mg/ml ; 0.0104 mol/l Class : Very soluble Log S (SILICOS-IT) : -3.0 Solubility : 0.169 mg/ml ; 0.000998 mol/l Class : Soluble
Medicinal Chemistry PAINS : 0.0 alert Brenk : 0.0 alert Leadlikeness : 1.0 Synthetic accessibility : 1.09
Safety of [ 20101-92-2 ] Signal Word: Warning Class: Precautionary Statements: P280 UN#: Hazard Statements: H302-H317 Packing Group: GHS Pictogram:
Application In Synthesis of [ 20101-92-2 ] * All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Downstream synthetic route of [ 20101-92-2 ]
1 [ 302-17-0 ] [ 20101-92-2 ] [ 90842-52-7 ] 2 [ 99-91-2 ] [ 20101-92-2 ] 3 [ 151-50-8 ] [ 104-83-6 ] [ 20101-92-2 ] 4 [ 2362-64-3 ] [ 20101-92-2 ] 4-chloromethylene-morpholinium; perchlorate [ No CAS ] 5-(4-chloro-phenyl)-2-(4-methoxy-phenyl)-6-morpholin-4-ylmethyleneamino-[1,3]thiazinylium; perchlorate [ No CAS ] 5 [ 14294-10-1 ] [ 20101-92-2 ] 4-chloromethylene-morpholinium; perchlorate [ No CAS ] 5-(4-chloro-phenyl)-2-morpholin-4-yl-6-morpholin-4-ylmethyleneamino-[1,3]thiazinylium; perchlorate [ No CAS ] 6 [ 7204-46-8 ] [ 20101-92-2 ] 4-chloromethylene-morpholinium; perchlorate [ No CAS ] 5-(4-chloro-phenyl)-2-diethylamino-6-morpholin-4-ylmethyleneamino-[1,3]thiazinylium; perchlorate [ No CAS ] 7 [ 20101-92-2 ] [ 684-16-2 ] [ 52786-35-3 ] 8 [ 20101-92-2 ] 4-chloromethylene-morpholinium; perchlorate [ No CAS ] [ 4714-69-6 ] 5-(4-chloro-phenyl)-2-(4-dimethylamino-phenyl)-6-morpholin-4-ylmethyleneamino-[1,3]thiazinylium; perchlorate [ No CAS ] 9 [ 956-04-7 ] [ 20101-92-2 ] [ 95734-12-6 ] 10 [ 50-00-0 ] [ 20101-92-2 ] 7-chloro-1,2,3,4-tetrahydroisoquinolin-3-one [ No CAS ] 11 [ 50-00-0 ] [ 20101-92-2 ] N,N'-methylenebis(4-chlorophenylacetamide) [ No CAS ] 12 [ 135075-22-8 ] [ 20101-92-2 ] [ 109329-59-1 ] 13 [ 20026-96-4 ] [ 20101-92-2 ] 3,4-Bis-(4-chloro-phenyl)-3H-pyridine-2,6-dione [ No CAS ] 14 [ 3533-13-9 ] [ 20101-92-2 ] [ 106658-35-9 ] 15 [ 16616-42-5 ] [ 20101-92-2 ] [ 95734-18-2 ] 16 [ 61926-42-9 ] [ 20101-92-2 ] [ 109329-54-6 ] 17 [ 20101-92-2 ] [ 24654-09-9 ] 3-(4-Chloro-phenyl)-4-(2-chloro-phenyl)-3H-pyridine-2,6-dione [ No CAS ] 18 [ 20101-92-2 ] [ 49545-70-2 ] [ 109329-53-5 ] 19 [ 20101-92-2 ] [ 1022-37-3 ] [ 4843-42-9 ] 3-(4-Chloro-phenyl)-4-naphthalen-1-yl-3H-pyridine-2,6-dione [ No CAS ] 20 [ 20101-92-2 ] [ 58686-68-3 ] 3-(4-Chloro-phenyl)-4-(3-chloro-phenyl)-3H-pyridine-2,6-dione [ No CAS ] 21 [ 20101-92-2 ] [ 55723-88-1 ] 3-(4-Chloro-phenyl)-4-naphthalen-2-yl-3,4,5,6-tetrahydro-1H-benzo[h]quinolin-2-one [ No CAS ]