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Carbazole derivative 1

CAT: 0931-T19170-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T19170-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
164914-28-7
Target
Others, Estrogen Receptor/ERR, Androgen Receptor
Related Pathways
Endocrinology/Hormones, Others
Bioactivity
Carbazole derivative 1 is used to reduce androgen or oestrogen levels in mammals.
Smiles
C(C=1C=C2C(C=3C(N2)=CC(F)=CC3)=CC1)C=4C=CC=NC4
Molecular Formula
C18H13FN2
Molecular Weight
276.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-fluoro-7-(pyridin-3-ylmethyl)-9H-carbazole
CAS Number164914-28-7
PubChem CID9925567
IUPAC Name2-fluoro-7-(pyridin-3-ylmethyl)-9H-carbazole
Molecular FormulaC18H13FN2
Molecular Weight276.3
XLogP4.3
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity361
SMILES
C1=CC(=CN=C1)CC2=CC3=C(C=C2)C4=C(N3)C=C(C=C4)F
InChI
InChI=1S/C18H13FN2/c19-14-4-6-16-15-5-3-12(8-13-2-1-7-20-11-13)9-17(15)21-18(16)10-14/h1-7,9-11,21H,8H2
InChIKey
LFCQNAOJQWIHSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-fluoro-7-(pyridin-3-ylmethyl)-9H-carbazole
CAS: 164914-28-7
CID: 9925567
Formula: C18H13FN2
MW: 276.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight276.3
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass276.10627659
Monoisotopic Mass276.10627659
Topological Polar Surface Area28.7 Ų
Heavy Atom Count21
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