NVP-BEP800 supplier | CasNO.847559-80-2

Name
NVP-BEP800
EINECS
CAS No. 847559-80-2
Density 1.396 g/cm³
Solubility
Melting Point
Formula C₂₁H₂₃Cl₂N₅O₂S
Boiling Point
Molecular Weight 480.418
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms VER-82576;
PSA 122.34000
LogP 4.73050

NVP-BEP800 Specification

The NVP-BEP800, with the CAS registry number 847559-80-2, is also known as VER-82576. This chemical's molecular formula is C₂₁H₂₃Cl₂N₅O₂S and molecular weight is 480.4106. What's more, its systematic name is 2-Amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethyl-thieno[2,3-d]pyrimidine-6-carboxamide.

Physical properties about NVP-BEP800 are: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.232; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 10.993; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 121.61 Å²; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 126.873 cm³; (15)Molar Volume: 344.106 cm³; (16)Surface Tension: 62.675 dyne/cm; (17)Density: 1.396 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: CCNC(=O)c1cc2c(nc(nc2s1)N)c3cc(c(cc3Cl)Cl)OCCN4CCCC4
(2) InChI: InChI=1/C21H23Cl2N5O2S/c1-2-25-19(29)17-10-13-18(26-21(24)27-20(13)31-17)12-9-16(15(23)11-14(12)22)30-8-7-28-5-3-4-6-28/h9-11H,2-8H2,1H3,(H,25,29)(H2,24,26,27)
(3) InChIKey: WJUNQSYQHHIVFX-UHFFFAOYAE

Product Name

NVP-BEP800

NVP-BEP800 Specification

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