Products for Research Use Only
RegisterLogin

Tegadifur

CAT: 0931-T13111-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T13111-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
62987-05-7
Target
Others
Related Pathways
Others
Purity
>99.99%
Bioactivity
Tegadifur (40497S) is an orally available antitumor compound with antimetabolic effects, often used with uracil and in the treatment of rectal adenocarcinoma.
Smiles
O=C1C(F)=CN(C(=O)N1C2OCCC2)C3OCCC3
Molecular Formula
C12H15FN2O4
Molecular Weight
270.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,3-Bis(tetrahydro-2-furanyl)-5-fluoro-2,4-pyrimidinedione
CAS Number62987-05-7
PubChem CID124956
IUPAC Name5-fluoro-1,3-bis(oxolan-2-yl)pyrimidine-2,4-dione
Molecular FormulaC12H15FN2O4
Molecular Weight270.26
XLogP0.7
Topological Polar Surface Area59.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity439
SMILES
C1CC(OC1)N2C=C(C(=O)N(C2=O)C3CCCO3)F
InChI
InChI=1S/C12H15FN2O4/c13-8-7-14(9-3-1-5-18-9)12(17)15(11(8)16)10-4-2-6-19-10/h7,9-10H,1-6H2
InChIKey
FLMBDTNCANYTCP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Bis(tetrahydro-2-furanyl)-5-fluoro-2,4-pyrimidinedione
CAS: 62987-05-7
CID: 124956
Formula: C12H15FN2O4
MW: 270.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.26
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass270.10158513
Monoisotopic Mass270.10158513
Topological Polar Surface Area59.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity439
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T1378-01Tegafur
T60780-01Tegafur-Uracil
T89103-01Tegafur-gimeracil-oteracil potassium

Alternative Products

CatalogName
BUP04606-01Tegadifur
A19482-10Tegadifur 10mg
A19482-25Tegadifur 25mg
A19482-1Tegadifur 1mg
A19482-50Tegadifur 50mg
A19482-5Tegadifur 5mg

Popular Products