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| CAS No.: | 1009298-09-2 |
|---|---|
| Name: | AZD-8055 |
| Molecular Structure: | |
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| Formula: | C25H31N5O4 |
| Molecular Weight: | 465.552 |
| Synonyms: | AZD 8055;[5-[2,4-Bis((3S)-3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol; |
| Density: | 1.248 g/cm3 |
| Boiling Point: | 694.302 °C at 760 mmHg |
| Flash Point: | 373.701 °C |
| Safety: | 24/25 |
| PSA: | 93.07000 |
| LogP: | 2.77290 |
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Specification
The AZD8055, with its CAS registry number 1009298-09-2, has the systematic name of [5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-phenyl]methanol. And it has the molecular formula of C25H31N5O4. When you are storing this chemical, you should keep it in the cool and well-ventilated place.
The characteristics of AZD8055 are as follows: (1)ACD/LogP: 4.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.227; (4)ACD/LogD (pH 7.4): 4.771; (5)ACD/BCF (pH 5.5): 705.922; (6)ACD/BCF (pH 7.4): 2469.464; (7)ACD/KOC (pH 5.5): 2643.296; (8)ACD/KOC (pH 7.4): 9246.801; (9)#H bond acceptors: 9; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 93.07 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 129.127 cm3; (15)Molar Volume: 372.929 cm3; (16)Polarizability: 51.19×10-24cm3; (17)Surface Tension: 53.867 dyne/cm; (18)Density: 1.248 g/cm3; (19)Flash Point: 373.701 °C; (20)Enthalpy of Vaporization: 106.81 kJ/mol; (21)Boiling Point: 694.302 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
What's more, the following datas could be converted into the molecular structure:
(1)SMILES:C[C@H]1COCCN1c2c3ccc(nc3nc(n2)N4CCOC[C@@H]4C)c5ccc(c(c5)CO)OC
(2)InChI:InChI=1/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17-/m0/s1
(3)InChIKey:KVLFRAWTRWDEDF-IRXDYDNUBW
(4)Std. InChI:InChI=1S/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17-/m0/s1
(5)Std. InChIKey:KVLFRAWTRWDEDF-IRXDYDNUSA-N