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410528-02-8

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Basic Information
CAS No.: 410528-02-8
Name: palovarotene
Article Data: 2
Molecular Structure:
Molecular Structure of 410528-02-8 (palovarotene)
Formula: C27H30N2O2
Molecular Weight: 414.547
Synonyms: Palovarotene;R 667;Ro 3300074;
EINECS: 200-258-5
Density: 1.11g/cm3
Boiling Point: 592.3±50.0 °C(Predicted)
PSA: 55.12000
LogP: 6.14900
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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