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Bersacapavir

CAT: 0607-BA1820-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1820-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1638266-40-6
Form
A solid
Molecular Formula
C16H14F4N4O3S
Molecular Weight
418.37
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Bersacapavir

Bersacapavir is under investigation in clinical trial NCT03365947 (Study of ARO-HBV in Normal Adult Volunteers and Patients With Hepatitis B Virus (HBV)).

CAS Number1638266-40-6
PubChem CID121294984
IUPAC NameN-(3-cyano-4-fluorophenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
Molecular FormulaC16H14F4N4O3S
Molecular Weight418.4
XLogP2.2
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity730
SMILES
C[C@@H](C(F)(F)F)NS(=O)(=O)C1=CN(C(=C1)C(=O)NC2=CC(=C(C=C2)F)C#N)C
InChI
InChI=1S/C16H14F4N4O3S/c1-9(16(18,19)20)23-28(26,27)12-6-14(24(2)8-12)15(25)22-11-3-4-13(17)10(5-11)7-21/h3-6,8-9,23H,1-2H3,(H,22,25)/t9-/m0/s1
InChIKey
SBVBIDUKSBJYEF-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of Bersacapavir
CAS: 1638266-40-6
CID: 121294984
Formula: C16H14F4N4O3S
MW: 418.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.4
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass418.07227414
Monoisotopic Mass418.07227414
Topological Polar Surface Area112 Ų
Heavy Atom Count28
Formal Charge0
Complexity730
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

Alternative Products

CatalogName
C01854-25mgBersacapavir
MBS5825373Bersacapavir(JNJ-56136379)

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