CD2665

CAT: 1568-C15136-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1568-C15136-02Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

170355-78-9

SKU

C15136-5mg

Smiles

COCCOCOC1=CC2=CC=C (C3=CC=C (C (O) =O) C=C3) C=C2C=C1C45C[C@H] (C6) C[C@H] (C[C@H]6C5) C4

Molecular Formula

C31H34O5

Additionnal Information

CD2665 is an orally bioavailable selective antagonist of RAR-β and RAR-γ, exhibiting dissociation constants (Kd) of 306 nM for RAR-β and 110 nM for RAR-γ.

Chemical Information

CD 2665

an antiviral that inhibits retinoic acid receptor-mediated transcription

CAS Number	170355-78-9
PubChem CID	216241
IUPAC Name	4-[7-(1-adamantyl)-6-(2-methoxyethoxymethoxy)naphthalen-2-yl]benzoic acid
Molecular Formula	C31H34O5
Molecular Weight	486.6
XLogP	7.5
Topological Polar Surface Area	65
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Heavy Atom Count	36
Formal Charge	0
Complexity	717

SMILES

COCCOCOC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H34O5/c1-34-8-9-35-19-36-29-15-26-7-6-25(23-2-4-24(5-3-23)30(32)33)13-27(26)14-28(29)31-16-20-10-21(17-31)12-22(11-20)18-31/h2-7,13-15,20-22H,8-12,16-19H2,1H3,(H,32,33)

InChIKey

JBALRFFXKQPVLT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 170355-78-9

CID: 216241

Formula: C31H34O5

MW: 486.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	486.6
XLogP3	7.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	486.24062418
Monoisotopic Mass	486.24062418
Topological Polar Surface Area	65 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	717
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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