CAS No.624733-88-6,MK-0812 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	624733-88-6
Name:	MK-0812
Article Data:	1

Formula:	C₂₄H₃₄F₃N₃O₃
Molecular Weight:	469.547
Synonyms:	MK-0812;D-erythro-Pentitol, 1,5-anhydro-2,3-dideoxy-3-[[(1R,3S)-3-[[7,8-dihydro-3-(trifluoromethyl)-1,6-naphthyridin-6(5H)-yl]carbonyl]-3-(1-methylethyl)cyclopentyl]amino]-4-O-methyl-;1,5-Anhydro-2,3-dideoxy-3-[[(1R,3S)-3-[[7,8-dihydro-3-(trifluoromethyl)-1,6-naphthyridin-6(5H)-yl]carbonyl]-3-(1-methylethyl)cyclopentyl]amino]-4-O-methyl-D-erythro-pentitol;MK0812,MK-0812
Density:	1.24 g/cm³
Boiling Point:	562 °C at 760 mmHg
Flash Point:	293.7 °C
PSA:	63.69000
LogP:	3.90230

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Specification

The MK0812, with CAS registry number 624733-88-6, has the systematic name of D-erythro-Pentitol, 1,5-anhydro-2,3-dideoxy-3-[[(1R,3S)-3-[[7,8-dihydro-3-(trifluoromethyl)-1,6-naphthyridin-6(5H)-yl]carbonyl]-3-(1-methylethyl)cyclopentyl]amino]-4-O-methyl-. And the chemical formula of this chemical is C₂₄H₃₄F₃N₃O₃.

Physical properties of D-erythro-Pentitol, 1,5-anhydro-2,3-dideoxy-3-[[(1R,3S)-3-[[7,8-dihydro-3-(trifluoromethyl)-1,6-naphthyridin-6(5H)-yl]carbonyl]-3-(1-methylethyl)cyclopentyl]amino]-4-O-methyl-: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.02; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 5.42; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 54.9 Å²; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 117.8 cm³; (15)Molar Volume: 376.7 cm³; (16)Polarizability: 46.7×10^-24cm³; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.24 g/cm³; (19)Flash Point: 293.7 °C; (20)Enthalpy of Vaporization: 84.49 kJ/mol; (21)Boiling Point: 562 °C at 760 mmHg; (22)Vapour Pressure: 1.18E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc4c(nc1)CCN(C(=O)[C@]3(C(C)C)C[C@H](N[C@H]2CCOC[C@H]2OC)CC3)C4
(2)InChI: InChI=1/C24H34F3N3O3/c1-15(2)23(7-4-18(11-23)29-20-6-9-33-14-21(20)32-3)22(31)30-8-5-19-16(13-30)10-17(12-28-19)24(25,26)27/h10,12,15,18,20-21,29H,4-9,11,13-14H2,1-3H3/t18-,20+,21-,23+/m1/s1
(3)InChIKey: MTMDXAIUENDNDL-RJSMDTJLBK
(4)Std. InChI: InChI=1S/C24H34F3N3O3/c1-15(2)23(7-4-18(11-23)29-20-6-9-33-14-21(20)32-3)22(31)30-8-5-19-16(13-30)10-17(12-28-19)24(25,26)27/h10,12,15,18,20-21,29H,4-9,11,13-14H2,1-3H3/t18-,20+,21-,23+/m1/s1
(5)Std. InChIKey: MTMDXAIUENDNDL-RJSMDTJLSA-N