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BMS-210285

CAT: 0931-T30505-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T30505-02Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
344607-69-8
Target
Others
Related Pathways
Others
Bioactivity
BMS-210285 is a bio-active chemical.
Smiles
[C@H](CC1=CC(Cl)=CC=C1)(NC[C@H](O)C2=CC(NS(C)(=O)=O)=C(O)C=C2)C3=CC=C(OC(F)F)C=C3
Molecular Formula
C24H25ClF2N2O5S
Molecular Weight
526.98
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bms-210285
CAS Number344607-69-8
PubChem CID9828292
IUPAC NameN-[5-[(1R)-2-[[(1R)-2-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
Molecular FormulaC24H25ClF2N2O5S
Molecular Weight527.0
XLogP4.3
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count35
Formal Charge0
Complexity736
SMILES
CS(=O)(=O)NC1=C(C=CC(=C1)[C@H](CN[C@H](CC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)OC(F)F)O)O
InChI
InChI=1S/C24H25ClF2N2O5S/c1-35(32,33)29-21-13-17(7-10-22(21)30)23(31)14-28-20(12-15-3-2-4-18(25)11-15)16-5-8-19(9-6-16)34-24(26)27/h2-11,13,20,23-24,28-31H,12,14H2,1H3/t20-,23+/m1/s1
InChIKey
DSEGFUSAJVUFLK-OFNKIYASSA-N
Chemical Structure
2D Structure
2D structure of Bms-210285
CAS: 344607-69-8
CID: 9828292
Formula: C24H25ClF2N2O5S
MW: 527.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.0
XLogP34.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass526.1140771
Monoisotopic Mass526.1140771
Topological Polar Surface Area116 Ų
Heavy Atom Count35
Formal Charge0
Complexity736
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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