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Lenacapavir

CAT: 1596-AR-L06345-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L06345-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2189684-44-2
Synonyms
N- ((S) -1- (3- (4-chloro-3- (methylsulfonamido) -1- (2,2,2-trifluoroethyl) -1H-indazol-7-yl) -6- (3-methyl-3- (methylsulfonyl) but-1-yn-1-yl) pyridin-2-yl) -2- (3,5-difluorophenyl) ethyl) -2- ((3bS,4aR) -5,5-difluoro-3- (trifluoromethyl) -3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl) acetamide
Molecular Formula
C39H32ClF10N7O5S2
Molecular Weight
968.3
API Name
Lenacapavir

Chemical Information

Lenacapavir

Lenacapavir is a first-in-class capsid inhibitor being investigated for use in HIV-1 treatment.

CAS Number2189684-44-2
PubChem CID133082658
IUPAC NameN-[(1S)-1-[3-[4-chloro-3-(methanesulfonamido)-1-(2,2,2-trifluoroethyl)indazol-7-yl]-6-(3-methyl-3-methylsulfonylbut-1-ynyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide
Molecular FormulaC39H32ClF10N7O5S2
Molecular Weight968.3
XLogP6.4
Topological Polar Surface Area175
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count19
Rotatable Bond Count13
Heavy Atom Count64
Formal Charge0
Complexity2040
SMILES
CC(C)(C#CC1=NC(=C(C=C1)C2=C3C(=C(C=C2)Cl)C(=NN3CC(F)(F)F)NS(=O)(=O)C)[C@H](CC4=CC(=CC(=C4)F)F)NC(=O)CN5C6=C([C@H]7C[C@H]7C6(F)F)C(=N5)C(F)(F)F)S(=O)(=O)C
InChI
InChI=1S/C39H32ClF10N7O5S2/c1-36(2,63(3,59)60)10-9-21-5-6-22(23-7-8-26(40)30-32(23)57(17-37(43,44)45)54-35(30)55-64(4,61)62)31(51-21)27(13-18-11-19(41)14-20(42)12-18)52-28(58)16-56-34-29(33(53-56)39(48,49)50)24-15-25(24)38(34,46)47/h5-8,11-12,14,24-25,27H,13,15-17H2,1-4H3,(H,52,58)(H,54,55)/t24-,25+,27-/m0/s1
InChIKey
BRYXUCLEHAUSDY-WEWMWRJBSA-N
Chemical Structure
2D Structure
2D structure of Lenacapavir
CAS: 2189684-44-2
CID: 133082658
Formula: C39H32ClF10N7O5S2
MW: 968.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight968.3
XLogP36.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count19
Rotatable Bond Count13
Exact Mass967.1435188
Monoisotopic Mass967.1435188
Topological Polar Surface Area175 Ų
Heavy Atom Count64
Formal Charge0
Complexity2040
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AL180739-01Lenacapavir
HY-177097Lenacapavir pacfosacil
HY-111964A-01Lenacapavir (sodium)
L329079Lenacapavir-D3
GTR19241639-01Lenacapavir sodium
TRC-L207061-25MGLenacapavir-D5
CS-O-59250Lenacapavir-d6
RM-L213111-01Lenacapavir Impurity 11
RM-L213110-01Lenacapavir Impurity 10
RM-L213109-01Lenacapavir Impurity 9

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