Products for Research Use Only
RegisterLogin

BAY-85-8501 10mg

CAT: 0628-A20645-10Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A20645-10Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1161921-82-9

Chemical Information

Bay-85-8501

inhibits neutrophil elastase; structure in first source

CAS Number1161921-82-9
PubChem CID66601502
IUPAC Name(4S)-4-(4-cyano-2-methylsulfonylphenyl)-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile
Molecular FormulaC22H17F3N4O3S
Molecular Weight474.5
XLogP2.6
Topological Polar Surface Area114
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity1030
SMILES
CC1=C([C@H](N(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C)C3=C(C=C(C=C3)C#N)S(=O)(=O)C)C#N
InChI
InChI=1S/C22H17F3N4O3S/c1-13-18(12-27)20(17-8-7-14(11-26)9-19(17)33(3,31)32)28(2)21(30)29(13)16-6-4-5-15(10-16)22(23,24)25/h4-10,20H,1-3H3/t20-/m1/s1
InChIKey
YAJWYFPMASPAMM-HXUWFJFHSA-N
Chemical Structure
2D Structure
2D structure of Bay-85-8501
CAS: 1161921-82-9
CID: 66601502
Formula: C22H17F3N4O3S
MW: 474.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.5
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass474.09734608
Monoisotopic Mass474.09734608
Topological Polar Surface Area114 Ų
Heavy Atom Count33
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
A20645-5BAY-85-8501 5mg
A20645-1BAY-85-8501 1mg
A20645-100BAY-85-8501 100mg
A20645-25BAY-85-8501 25mg
A20645-2BAY-85-8501 2mg
A20645-50BAY-85-8501 50mg
A20645-10mM-DBAY-85-8501 10mM * 1mL in DMSO
A19124-10BAY-850 10mg
A19495-10BAY-1316957 10mg
A19454-10BAY-1895344 10mg

Alternative Products

CatalogName
IMSAHU85LRPFG6A6C10MGMouse Anti Human 85 kDa LRP Monoclonal Clone 5A6 10mg
IMSAHU85LRP8B8C10MGMouse Anti Human 85 kDa LRP Monoclonal Clone 8B8 10mg
BA7398-10BAY-85-8501
BB166655-01BAY 85-8501
WXD17539-01(R) -BAY-85-8501
MBS5753763(R)-BAY-85-8501
9597-25BAY 85-3934
C13211-01Molidustat (BAY 85-3934)
RM-M122000-01Molidustat (Bay-85-3934)
MBS130814-01Molidustat(BAY-85-3934)

Popular Products