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CD 2665

CAT: 0572-TRC-C263150-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C263150-500MGSize:500 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
Synonyms
CD 2665
Hazard Statement
No Data Available
Smiles
COCCOCOc1cc2ccc(cc2cc1C34C[C@@H]5C[C@@H](C[C@@H](C5)C3)C4)c6ccc(cc6)C(=O)O
Molecular Formula
C31 H34 O5
Molecular Weight
486.599
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)/t20-,21+,22-,31?
Additionnal Information
IUPAC name: 4-[7-(1-adamantyl)-6-(2-methoxyethoxymethoxy)naphthalen-2-yl]benzoic acid
Shipping Conditions
Room Temperature

Chemical Information

CD 2665

an antiviral that inhibits retinoic acid receptor-mediated transcription

CAS Number170355-78-9
PubChem CID216241
IUPAC Name4-[7-(1-adamantyl)-6-(2-methoxyethoxymethoxy)naphthalen-2-yl]benzoic acid
Molecular FormulaC31H34O5
Molecular Weight486.6
XLogP7.5
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity717
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
2D structure of CD 2665
CAS: 170355-78-9
CID: 216241
Formula: C31H34O5
MW: 486.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.6
XLogP37.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass486.24062418
Monoisotopic Mass486.24062418
Topological Polar Surface Area65 Ų
Heavy Atom Count36
Formal Charge0
Complexity717
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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