Products for Research Use Only
RegisterLogin

PAT-505

CAT: 0607-BA8196-5Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-BA8196-5Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1782070-22-7
Form
A solid
Molecular Formula
C23H18ClF2N3O2S
Molecular Weight
473.92
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Pat-505
CAS Number1782070-22-7
PubChem CID118094189
IUPAC Name3-[6-chloro-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoroindol-3-yl]sulfanyl-2-fluorobenzoic acid
Molecular FormulaC23H18ClF2N3O2S
Molecular Weight473.9
XLogP5.3
Topological Polar Surface Area85.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity704
SMILES
CCN1C=C(C=N1)N2C(=C(C3=C2C(=C(C=C3)Cl)F)SC4=CC=CC(=C4F)C(=O)O)C5CC5
InChI
InChI=1S/C23H18ClF2N3O2S/c1-2-28-11-13(10-27-28)29-20(12-6-7-12)22(15-8-9-16(24)19(26)21(15)29)32-17-5-3-4-14(18(17)25)23(30)31/h3-5,8-12H,2,6-7H2,1H3,(H,30,31)
InChIKey
BQMMCRXYIIKAOB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pat-505
CAS: 1782070-22-7
CID: 118094189
Formula: C23H18ClF2N3O2S
MW: 473.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.9
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass473.0776320
Monoisotopic Mass473.0776320
Topological Polar Surface Area85.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity704
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
BA7139-10NCT-505
BA8433-1RU-505
BA7139-1NCT-505
BA7139-5.1NCT-505
BA7139-5NCT-505
B5292-50BTS 54-505 hydrochloride
B5292-10BTS 54-505 hydrochloride

Alternative Products

CatalogName
MBS5753647PAT-505
A19715-5PAT-505 5mg
A19715-1PAT-505 1mg
M33056-01PAT-505 B
A19715-100PAT-505 100mg
A19715-50PAT-505 50mg
A19715-10PAT-505 10mg
571507-01Pat
MBS1040036-01Recombinant Xenopus laevis Protein Pat (pat)
JEC98315-01PAT-048

Popular Products