Tesofensine 402856-42-2 Largest supply CAS NO.402856-42-2

tesofensine basic information

product name: tesofensine
synonyms: ns-2330;tesofensine;(2r,3s)-3-(3,4-dichlorophenyl)-2-ethoxymethyl- 8-methyl-8-azabicyclo[3.2.1]octane;(1r,2r,3s)-3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane(tesofensine)
cas: 402856-42-2
mf: c17h23ncl2o
mw: 0
einecs:
product categories:
mol file: 402856-42-2.mol

the tesofensine has cas registry number 402856-42-2. this chemical's molecular formula is c17h23ncl2o. what's more, its systematic name is (2r,3s)-3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane.
physical properties about the tesofensine are: (1)acd/logp: 4.59; (2)# of rule of 5 violations: 0; (3)acd/logd (ph 5.5): 1; (4)acd/logd (ph 7.4): 1; (5)acd/bcf (ph 5.5): 1; (6)acd/bcf (ph 7.4): 1; (7)acd/koc (ph 5.5): 3; (8)acd/koc (ph 7.4): 6; (9)#h bond acceptors: 2; (10)#h bond donors: 0; (11)#freely rotating bonds: 4; (12)polar surface area: 12.47 å2; (13)index of refraction: 1.539; (14)molar refractivity: 88.548 cm3; (15)molar volume: 282.532 cm3; (16)surface tension: 37.293 dyne/cm; (17)density: 1.162 g/cm3; (18)flash point: 193.675 °c; (19)enthalpy of vaporization: 64.696 kj/mol; (20)boiling point: 396.629 °c at 760 mmhg; (21)vapour pressure: 0 mmhg at 25 °c.
you can still convert the following datas into molecular structure:
(1) smiles: clc1ccc(cc1cl)[c@h]3cc2n(c)c(cc2)[c@@h]3cocc
(2) inchi: inchi=1/c17h23cl2no/c1-3-21-10-14-13(9-12-5-7-17(14)20(12)2)11-4-6-15(18)16(19)8-11/h4,6,8,12-14,17h,3,5,7,9-10h2,1-2h3/t12 ,13-,14-,17 /m1/s1
(3) inchikey: vcvwxkkwdojnit-yxxkgxstbf