Products for Research Use Only

CYP1B1-IN-1

CAT: 1410-M35463-01Size: 1 EachDry Ice: NoHazardous: No
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Description
CYP1B1-IN-1 is a selective and highly potent cytochrome P450 1B1 (CYP1B1) inhibitor with potential anticancer and antitumor activity for breast cancer research.
CAS Number
842122-33-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
306.74
Molecular Formula
C19H11ClO2
Notes
Research use only, not for human use.
Receptor
P450

Chemical Information

Cyp1B1-IN-1
CAS Number842122-33-2
PubChem CID11347335
IUPAC Name2-(3-chlorophenyl)benzo[h]chromen-4-one
Molecular FormulaC19H11ClO2
Molecular Weight306.7
XLogP5.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity472
SMILES
C1=CC=C2C(=C1)C=CC3=C2OC(=CC3=O)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C19H11ClO2/c20-14-6-3-5-13(10-14)18-11-17(21)16-9-8-12-4-1-2-7-15(12)19(16)22-18/h1-11H
InChIKey
GTBLQVSIEGDPPV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyp1B1-IN-1
CAS: 842122-33-2
CID: 11347335
Formula: C19H11ClO2
MW: 306.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight306.7
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass306.0447573
Monoisotopic Mass306.0447573
Topological Polar Surface Area26.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity472
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