4-Oxo Cyclophosphamide

CAT: 0024-sc-210136Size: 2.5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-210136Size:2.5 mg

Selected

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

Quick Request Actions

CAS Number

27046-19-1

Chemical Information

4-Ketocyclophosphamide

4-Ketocyclophosphamide is a nitrogen mustard.

CAS Number	27046-19-1
PubChem CID	33676
IUPAC Name	2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-one
Molecular Formula	C7H13Cl2N2O3P
Molecular Weight	275.07
XLogP	0.1
Topological Polar Surface Area	58.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	271

SMILES

C1COP(=O)(NC1=O)N(CCCl)CCCl

InChI

InChI=1S/C7H13Cl2N2O3P/c8-2-4-11(5-3-9)15(13)10-7(12)1-6-14-15/h1-6H2,(H,10,12,13)

InChIKey

VBMZHOCORXMDJU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 27046-19-1

CID: 33676

Formula: C7H13Cl2N2O3P

MW: 275.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	275.07
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	274.0040847
Monoisotopic Mass	274.0040847
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	271
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
sc-206885B	4-Hydroperoxy Cyclophosphamide
sc-206885A	4-Hydroperoxy Cyclophosphamide
sc-206885	4-Hydroperoxy Cyclophosphamide
sc-206885D	4-Hydroperoxy Cyclophosphamide
sc-489495	4-Glutathionyl Cyclophosphamide
sc-206885C	4-Hydroperoxy Cyclophosphamide
sc-361165	Cyclophosphamide
sc-489496	4-Glutathionyl Cyclophosphamide-d4
sc-361165B	Cyclophosphamide
sc-361165A	Cyclophosphamide

Catalog	Name
T35645-01	4-oxo Cyclophosphamide
HY-143934S	4-Oxo cyclophosphamide-d8
TRC-O849902-25MG	4-Oxo Cyclophosphamide-d10
CDA27367-01	4-Glutathionyl cyclophosphamide
TRC-H714675-1MG	4-Hydroperoxy Cyclophosphamide
AR-C03802-01	4-Hydroxy Cyclophosphamide
AR-C03819-01	Cyclophosphamide Impurity 4