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Apholate

CAT: 0013-GTR19200924-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200924-03Size:100 mg
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Description
Apholate is a small molecule alkylating agent used in research as a chemosterilant pesticide. It functions by inhibiting reproduction in target organisms, making it a tool for studying population control in both in vitro and in vivo experimental models.
CAS Number
52-46-0
Smiles
N=1P (=NP (=NP1 (N2CC2) N3CC3) (N4CC4) N5CC5) (N6CC6) N7CC7
Molecular Formula
C12H24N9P3
Molecular Weight
387.30
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Apholate

Apholate is a member of the class of aziridines that is 1,3,5,2,4,6-triazatriphosphinine substituted by aziridin-1-yl groups at positions 2,2,4,4,6, and 6. It is an insect sterilant. It has a role as an alkylating agent and an insect sterilant. It is a member of aziridines and a ring assembly. It is functionally related to a 1,3,5,2,4,6-triazatriphosphinine.

CAS Number52-46-0
PubChem CID5845
IUPAC Name2,2,4,4,6,6-hexakis(aziridin-1-yl)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Molecular FormulaC12H24N9P3
Molecular Weight387.30
XLogP0.6
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity592
SMILES
C1CN1P2(=NP(=NP(=N2)(N3CC3)N4CC4)(N5CC5)N6CC6)N7CC7
InChI
InChI=1S/C12H24N9P3/c1-2-16(1)22(17-3-4-17)13-23(18-5-6-18,19-7-8-19)15-24(14-22,20-9-10-20)21-11-12-21/h1-12H2
InChIKey
PXZAWHSJYIECNQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Apholate
CAS: 52-46-0
CID: 5845
Formula: C12H24N9P3
MW: 387.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.30
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass387.13675280
Monoisotopic Mass387.13675280
Topological Polar Surface Area55.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity592
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
AAA05246-01Apholate
T33336-01Methyl apholate

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