15- (4-Iodophenyl) pentadecanoic acid

CAT: 0127-OR6472-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR6472-01Size:100 mg

Selected

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

Quick Request Actions

CAS Number

80479-93-2

MDL Number

MFCD00040778

Purity

=95%

Smiles

OC(=O)CCCCCCCCCCCCCCc1ccc(I)cc1

Storage Conditions

Store at 2-8°C

Notes

Radiopharmaceutical precursor

Chemical Information

omega-(4-Iodophenyl)pentadecanoic acid

imaging agent; RN given refers to parent cpd without isomeric designation

CAS Number	80479-93-2
PubChem CID	123810
IUPAC Name	15-(4-iodophenyl)pentadecanoic acid
Molecular Formula	C21H33IO2
Molecular Weight	444.4
XLogP	8.5
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Heavy Atom Count	24
Formal Charge	0
Complexity	298

SMILES

C1=CC(=CC=C1CCCCCCCCCCCCCCC(=O)O)I

InChI

InChI=1S/C21H33IO2/c22-20-17-15-19(16-18-20)13-11-9-7-5-3-1-2-4-6-8-10-12-14-21(23)24/h15-18H,1-14H2,(H,23,24)

InChIKey

YAONEUNUMVOKNQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80479-93-2

CID: 123810

Formula: C21H33IO2

MW: 444.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	444.4
XLogP3	8.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Exact Mass	444.15253
Monoisotopic Mass	444.15253
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	298
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

Catalog	Name
OR6469	15- (3,4-Dichlorophenyl) pentadecanoic acid
OR1042708-01	Pentadecanoic acid, 15-hydroxy-, methyl ester
OR1067939-01	15- ((tert-Butoxycarbonyl) amino) pentadecanoic acid
OR1014584-01	Pentadecanoic Acid
BUP19682	Pentadecanoic acid
OR6475	15-Phenyl-3,3-dimethyl-pentadecanoic acid
OR74755-01	4- (4-Iodophenyl) butanoic acid
OR1038597	4- (4-Iodophenyl) -4-oxobutanoic acid
OR1048818-01	5- (4-Iodophenyl) pentanoic acid
OR47846	1- (4-Iodophenyl) cyclobutanecarboxylic acid

Catalog	Name
sc-258969A	15- (4-Iodophenyl) pentadecanoic acid
462175	Pentadecanoic Acid 3-[2-[4- (6-Fluoro-1, 2-benzisoxazol-3-yl) -1-piperidinyl]ethyl]-6, 7, 8, 9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1, 2-a]pyrimidin-9-yl Ester
sc-478978	Pentadecanoic Acid 3-[2-[4- (6-Fluoro-1,2-benzisoxazol-3-yl) -1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl Ester
MBS6013741-01	Pentadecanoic Acid
TRC-P220493-50MG	Pentadecanoic-d29 Acid
HY-158114-01	Pentadecanoic acid chloride
HY-W004283S1-01	Pentadecanoic acid-d3
26304-14	N-Pentadecanoic Acid