Alternatived Products of [ 5423-67-6 ]
Product Details of [ 5423-67-6 ] CAS No. : 5423-67-6 MDL No. : MFCD00507345 Formula :
C13 H13 NO
Boiling Point : No data available Linear Structure Formula : - InChI Key : WKJMQLMWPMZUQH-UHFFFAOYSA-N M.W :
199.25
Pubchem ID : 95477 Synonyms :
Calculated chemistry of [ 5423-67-6 ] Expand+ Physicochemical Properties Num. heavy atoms : 15 Num. arom. heavy atoms : 10 Fraction Csp3 : 0.23 Num. rotatable bonds : 0 Num. H-bond acceptors : 1.0 Num. H-bond donors : 2.0 Molar Refractivity : 65.01 TPSA : 32.26 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 : No Log Kp (skin permeation) : -5.69 cm/s
Lipophilicity Log Po/w (iLOGP) : 1.77 Log Po/w (XLOGP3) : 2.57 Log Po/w (WLOGP) : 1.6 Log Po/w (MLOGP) : 2.07 Log Po/w (SILICOS-IT) : 2.55 Consensus Log Po/w : 2.11
Druglikeness Lipinski : 0.0 Ghose : None Veber : 0.0 Egan : 0.0 Muegge : 1.0 Bioavailability Score : 0.55
Water Solubility Log S (ESOL) : -3.19 Solubility : 0.129 mg/ml ; 0.000649 mol/l Class : Soluble Log S (Ali) : -2.9 Solubility : 0.253 mg/ml ; 0.00127 mol/l Class : Soluble Log S (SILICOS-IT) : -4.15 Solubility : 0.014 mg/ml ; 0.0000701 mol/l Class : Moderately soluble
Medicinal Chemistry PAINS : 0.0 alert Brenk : 0.0 alert Leadlikeness : 1.0 Synthetic accessibility : 2.22
Application In Synthesis of [ 5423-67-6 ] * 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 [ 5423-67-6 ]
1 [ 5423-67-6 ] [ 230-27-3 ] Reference: [1]Zhurnal Obshchei Khimii,1958,vol. 28,p. 2682,2684,2686;engl.Ausg.2710,2712,2713 [2]Zhurnal Obshchei Khimii,1958,vol. 28,p. 2682,2684,2686;engl.Ausg.2710,2712,2713 2 [ 5423-67-6 ] [ 233-34-1 ] 3 [ 5423-67-6 ] [ 91804-13-6 ] 4 [ 7719-09-7 ] [ 5423-67-6 ] [ 30426-97-2 ]
6 (+-)-1-chloro-3-<1>naphthylamino-propan-2-ol [ No CAS ] [ 5423-67-6 ] 7 [ 7647-01-0 ] [ 5423-67-6 ] [ 7732-18-5 ] [ 230-27-3 ] [ 5223-80-3 ] 8 [ 5423-67-6 ] [ 118-92-3 ] 6-[(2-carboxyphenyl)azo]-3-hydroxy-7,8-benzo-1,2,3,4-tetrahydroquinoline [ No CAS ] 9 [ 5423-67-6 ] [ 121-57-3 ] 3-hydroxy-6-[(4-sulfophenyl)azo]-7,8-benzo-1,2,3,4-tetrahydroquinoline [ No CAS ] 10 [ 5423-67-6 ] [ 150-13-0 ] 6-[(4-carboxyphenyl)azo]-3-hydroxy-7,8-benzo-1,2,3,4-tetrahydroquinoline [ No CAS ] 11 [ 134-32-7 ] [ 106-89-8 ] [ 5423-67-6 ] 12 [ 5423-67-6 ] [ 102159-96-6 ]