Palovarotene supplier | CasNO.410528-02-8

Name
palovarotene
EINECS 200-258-5
CAS No. 410528-02-8
Article Data2
CAS DataBase
Density 1.11g/cm³
Solubility
Melting Point
Formula C₂₇H₃₀N₂O₂
Boiling Point 592.3±50.0 °C(Predicted)
Molecular Weight 414.547
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Palovarotene;R 667;Ro 3300074;
PSA 55.12000
LogP 6.14900

Palovarotene Specification

The Palovarotene with the cas number 410528-02-8 is also called Ro 3300074. The IUPAC name is 4-[(E)-2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethenyl]benzoic acid. Its molecular formula is C₂₇H₃₀N₂O₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

Properties Computed from Structure: (1)XLogP3-AA: 6.8; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 5; (5)Exact Mass: 414.230728; (6)MonoIsotopic Mass: 414.230728; (7)Topological Polar Surface Area: 55.1; (8)Heavy Atom Count: 31; (9)Formal Charge: 0; (10)Complexity: 662; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 1; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1(CCC(C2=C1C=C(C(=C2)C=CC3=CC=C(C=C3)C(=O)O)CN4C=CC=N4)(C)C)C
(2)InChI: InChI=1S/C27H30N2O2/c1-26(2)12-13-27(3,
4)24-17-22(18-29-15-5-14-28-29)21(16-23(24)26)11-8-19-6-9-20(10-7-19)25
(30)31/h5-11,14-17H,12-13,18H2,1-4H3,(H,30,31)/b11-8+
(3)InChIKey: YTFHCXIPDIHOIA-DHZHZOJOSA-N

Product Name

palovarotene

Palovarotene Specification

Related Products

Hot Products