Pomalidomide-C3-I

CAT: 0127-BUP02194-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP02194-02Size:5 mg

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CAS Number

2570254-31-6

Purity

=95%

Smiles

ICCCNC1=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=CC=C1

Chemical Information

2-(2,6-Dioxopiperidin-3-YL)-4-((3-iodopropyl)amino)isoindoline-1,3-dione

CAS Number	2570254-31-6
PubChem CID	155388329
IUPAC Name	2-(2,6-dioxopiperidin-3-yl)-4-(3-iodopropylamino)isoindole-1,3-dione
Molecular Formula	C16H16IN3O4
Molecular Weight	441.22
XLogP	2.3
Topological Polar Surface Area	95.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	568

SMILES

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCI

InChI

InChI=1S/C16H16IN3O4/c17-7-2-8-18-10-4-1-3-9-13(10)16(24)20(15(9)23)11-5-6-12(21)19-14(11)22/h1,3-4,11,18H,2,5-8H2,(H,19,21,22)

InChIKey

QGIVOQPVTLJXRH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2570254-31-6

CID: 155388329

Formula: C16H16IN3O4

MW: 441.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	441.22
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	441.01855
Monoisotopic Mass	441.01855
Topological Polar Surface Area	95.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	568
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP02196-01	Pomalidomide-C3-NH2 hydrochloride
OR1032032-01	Pomalidomide-amido-C3-COOH
BUP02209-01	Pomalidomide-C6-I TFA
BUP17160-01	Pomalidomide
BIPC1018-01	Pomalidomide
OR1005050-01	Pomalidomide-PEG4-COOH
BUP02203-01	Pomalidomide-C4-OH
OR1014810-01	Pomalidomide-C7-COOH
OR1042814-01	Pomalidomide-C5-azide
OR1007318	Pomalidomide-PEG3-azide

Catalog	Name
T40000-01	Pomalidomide-C3-I
BA4565-1	Pomalidomide-C3-adavosertib
HY-131888A	Pomalidomide-C3-NH2
HY-W998285	Pomalidomide-C3-alkyne
HY-148142-01	Pomalidomide-C3-NHS ester
A24453-5	Pomalidomide-C3-adavosertib 5mg
A24453-50	Pomalidomide-C3-adavosertib 50mg
GTR19170086-01	Pomalidomide-C3-NH2 hydrochloride
HY-131888-01	Pomalidomide-C3-NH2 (hydrochloride)
HY-131185-01	Pomalidomide-amido-C3-COOH