Products for Research Use Only
RegisterLogin

CYP1B1-IN-5

CAT: 0931-T73042-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T73042-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
176442-56-1
Target
Cytochromes P450
Related Pathways
Metabolism
Purity
0.9861
Bioactivity
CYP1B1-IN-5 is a selective and potent cytochrome P450 1B1 (CYP1B1) inhibitor with an IC50 of 4.7 nM.CYP1B1-IN-5 can be used for the study of metabolism-related diseases.
Smiles
O=C1OC(=NC=2C1=CC=CC2)C3=CC=C(I)C=C3
Molecular Formula
C14H8INO2
Molecular Weight
349.12
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cyp1B1-IN-5
CAS Number176442-56-1
PubChem CID918856
IUPAC Name2-(4-iodophenyl)-3,1-benzoxazin-4-one
Molecular FormulaC14H8INO2
Molecular Weight349.12
XLogP3.6
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity361
SMILES
C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=C(C=C3)I
InChI
InChI=1S/C14H8INO2/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(17)18-13/h1-8H
InChIKey
WQHAEZGAZWZFHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyp1B1-IN-5
CAS: 176442-56-1
CID: 918856
Formula: C14H8INO2
MW: 349.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.12
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass348.95998
Monoisotopic Mass348.95998
Topological Polar Surface Area38.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity361
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

Related Products

CatalogName
T212362-01CYP1B1-IN-10
T85344-01CYP1B1-IN-7
T209667-01CYP1B1-IN-8
T73040-01CYP1B1-IN-4
T211184-01CYP1B1-IN-9
T208867-01CYP1B1-IN-6
T73039-01CYP1B1-IN-3
T61082-01CYP1B1-IN-2
T60723-01CYP1B1-IN-1
T88465-01CYP1B1 ligand 3

Alternative Products

CatalogName
M36491-01CYP1B1-IN-5
312598-01CYP1B1
YP-W36863-01Rat CYP1B1 (CYP1B1) ELISA Kit
bs-12926R-Cy5.5CYP1B1 Polyclonal Antibody, Cy5.5 Conjugated
bsm-61984R-Cy5.5CYP1B1 Recombinant Antibody, Cy5.5 Conjugated
BA7281-10CYP1B1-IN-4
HY-161403CYP1B1-IN-8
HY-157942-01CYP1B1-IN-7
559849-01CYP1B1 (HRP)
MBS7109164-01CYP1B1 Antibody

Popular Products