ALDH1A2-IN-1

CAT: 0607-BA7151-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA7151-1Size:1 mg

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CAS Number

2204229-64-9

Form

A solid

Molecular Formula

C21H26N4O4S

Molecular Weight

430.52

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Aldh1A2-IN-1

CAS Number	2204229-64-9
PubChem CID	131955136
IUPAC Name	(3-ethoxythiophen-2-yl)-[4-(4-nitro-3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
Molecular Formula	C21H26N4O4S
Molecular Weight	430.5
XLogP	3.8
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	30
Formal Charge	0
Complexity	604

SMILES

CCOC1=C(SC=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C21H26N4O4S/c1-2-29-19-7-14-30-20(19)21(26)24-12-10-22(11-13-24)16-5-6-17(25(27)28)18(15-16)23-8-3-4-9-23/h5-7,14-15H,2-4,8-13H2,1H3

InChIKey

LAYJOGOQGVGOCO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2204229-64-9

CID: 131955136

Formula: C21H26N4O4S

MW: 430.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	430.5
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	430.16747650
Monoisotopic Mass	430.16747650
Topological Polar Surface Area	110 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	604
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
MA1137-.05	Anti-ALDH1A2 Rabbit Monoclonal Antibody
MA1137-.1	Anti-ALDH1A2 Rabbit Monoclonal Antibody
BA7141-5	ALDH1A3-IN-1
BA7141-50	ALDH1A3-IN-1
BA7141-10	ALDH1A3-IN-1
BA7141-100	ALDH1A3-IN-1
BA7141-25	ALDH1A3-IN-1
BA7144-10	ALDH3A1-IN-1
BA7144-50	ALDH3A1-IN-1
BA7144-5	ALDH3A1-IN-1