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FAAH-IN-1

CAT: 0607-BA3682-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3682-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1242441-47-9
Form
A solid
Molecular Formula
C20H19ClN4OS
Molecular Weight
398.91
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Faah-IN-1
CAS Number1242441-47-9
PubChem CID46909253
IUPAC Nametrans-(1S,2S)-2-[4-[4-[(5-chloro-2-pyridinyl)sulfanyl]-1H-imidazol-5-yl]phenyl]-N,N-dimethylcyclopropane-1-carboxamide
Molecular FormulaC20H19ClN4OS
Molecular Weight398.9
XLogP3.7
Topological Polar Surface Area87.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity528
SMILES
CN(C)C(=O)[C@H]1C[C@@H]1C2=CC=C(C=C2)C3=C(N=CN3)SC4=NC=C(C=C4)Cl
InChI
InChI=1S/C20H19ClN4OS/c1-25(2)20(26)16-9-15(16)12-3-5-13(6-4-12)18-19(24-11-23-18)27-17-8-7-14(21)10-22-17/h3-8,10-11,15-16H,9H2,1-2H3,(H,23,24)/t15-,16+/m1/s1
InChIKey
JCDQNWAFZWEYBZ-CVEARBPZSA-N
Chemical Structure
2D Structure
2D structure of Faah-IN-1
CAS: 1242441-47-9
CID: 46909253
Formula: C20H19ClN4OS
MW: 398.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.9
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass398.0968101
Monoisotopic Mass398.0968101
Topological Polar Surface Area87.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity528
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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