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219580-11-7

Basic Information
CAS No.: 219580-11-7
Name: PD 173074
Molecular Structure:
Molecular Structure of 219580-11-7 (PD 173074)
Formula: C28H41N7O3
Molecular Weight: 523.68
Synonyms: Urea, N-[2-[[4-(diethylamino)butyl]amino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-N'-(1,1-dimethylethyl)-; n-[2-[[4-(diethylamino)butyl]amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-n'-(1,1-dimethylethyl)urea
Density: 1.163 g/cm3
Melting Point: 82-85°C
Appearance: yellow solid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26
PSA: 113.53000
LogP: 5.69980
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Specification

This chemical is called PD173074, and its systematic name is 1-tert-butyl-3-[2-{[4-(diethylamino)butyl]amino}-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea. With the molecular formula of C28H41N7O3, its molecular weight is 523.68. The CAS registry number of this chemical is 219580-11-7. Additionally, it should be stored at 2-8°C.

Other characteristics of the PD173074 can be summarised as followings: (1)ACD/LogP: 4.31; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.85; (7)ACD/KOC (pH 5.5): 4.24; (8)ACD/KOC (pH 7.4): 8.78; (9)#H bond acceptors: 10; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 87.16 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 153.81 cm3; (15)Molar Volume: 450.2 cm3; (16)Polarizability: 60.97×10-24cm3; (17)Surface Tension: 48.7 dyne/cm; (18)Density: 1.163 g/cm3.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(NC(C)(C)C)Nc1nc3nc(ncc3cc1c2cc(OC)cc(OC)c2)NCCCCN(CC)CC
2.InChI: InChI=1/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)
3.InChIKey: DXCUKNQANPLTEJ-UHFFFAOYAD