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CD 2314

CAT: 0572-TRC-C263158-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C263158-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
170355-37-0
Synonyms
CD 2314
Hazard Statement
No Data Available
Smiles
CC1(C)CCC(C)(C)c2cc3cc(ccc3cc12)c4cc(cs4)C(=O)O
Molecular Formula
C23 H24 O2 S
Molecular Weight
364.5
InChI
InChI=1S/C23H24O2S/c1-22(2)7-8-23(3,4)19-11-16-9-15(6-5-14(16)10-18(19)22)20-12-17(13-26-20)21(24)25/h5-6,9-13H,7-8H2,1-4H3,(H,24,25)
Additionnal Information
IUPAC name: 5-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)thiophene-3-carboxylic acid
Shipping Conditions
Room Temperature

Chemical Information

CD2314

retinoic acid receptor agonist

CAS Number170355-37-0
PubChem CID15293210
IUPAC Name5-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)thiophene-3-carboxylic acid
Molecular FormulaC23H24O2S
Molecular Weight364.5
XLogP7.2
Topological Polar Surface Area65.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity554
SMILES
CC1(CCC(C2=C1C=C3C=CC(=CC3=C2)C4=CC(=CS4)C(=O)O)(C)C)C
InChI
InChI=1S/C23H24O2S/c1-22(2)7-8-23(3,4)19-11-16-9-15(6-5-14(16)10-18(19)22)20-12-17(13-26-20)21(24)25/h5-6,9-13H,7-8H2,1-4H3,(H,24,25)
InChIKey
URUSABQSUCBGGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CD2314
CAS: 170355-37-0
CID: 15293210
Formula: C23H24O2S
MW: 364.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.5
XLogP37.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass364.14970118
Monoisotopic Mass364.14970118
Topological Polar Surface Area65.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity554
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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