Products for Research Use Only
RegisterLogin

SN23862

CAT: 0013-GTR19237839-03Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19237839-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
SN23862 is a CB-1954 analog developed as a tumor-activated prodrug for cancer research. It is utilized in both in vitro and in vivo studies to investigate its bioreductive activation and selective cytotoxicity against tumor cells.
CAS Number
142439-61-0
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
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

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

RN & structure given in first source

CAS Number142439-61-0
PubChem CID126690
IUPAC Name5-[bis(2-chloroethyl)amino]-2,4-dinitrobenzamide
Molecular FormulaC11H12Cl2N4O5
Molecular Weight351.14
XLogP1.8
Topological Polar Surface Area138
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity422
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
2D structure of 5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide
CAS: 142439-61-0
CID: 126690
Formula: C11H12Cl2N4O5
MW: 351.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.14
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass350.0184749
Monoisotopic Mass350.0184749
Topological Polar Surface Area138 Ų
Heavy Atom Count22
Formal Charge0
Complexity422
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

Alternative Products

CatalogName
T89503-01SN23862

Popular Products