SN23862

CAT: 0931-T89503-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T89503-01Size:10 mg

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

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CAS Number

142439-61-0

Bioactivity

SN23862 is a tumor prodrug with anticancer activity and is an analog of CB-1954. It can be utilized in cancer research.

Smiles

O=[N+](C1=C(C=C(N(CCCl)CCCl)C([N+]([O-])=O)=C1)C(N)=O)[O-]

Molecular Formula

C11H12Cl2N4O5

Molecular Weight

351.14

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide

RN & structure given in first source

CAS Number	142439-61-0
PubChem CID	126690
IUPAC Name	5-[bis(2-chloroethyl)amino]-2,4-dinitrobenzamide
Molecular Formula	C11H12Cl2N4O5
Molecular Weight	351.14
XLogP	1.8
Topological Polar Surface Area	138
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	22
Formal Charge	0
Complexity	422

SMILES

C1=C(C(=CC(=C1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C11H12Cl2N4O5/c12-1-3-15(4-2-13)9-5-7(11(14)18)8(16(19)20)6-10(9)17(21)22/h5-6H,1-4H2,(H2,14,18)

InChIKey

DQMALWRRERBILB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 142439-61-0

CID: 126690

Formula: C11H12Cl2N4O5

MW: 351.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	351.14
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	350.0184749
Monoisotopic Mass	350.0184749
Topological Polar Surface Area	138 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	422
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
HY-120313	SN23862