Products for Research Use Only
RegisterLogin

Fulvestrant 9-Sulfone

CAT: 0024-sc-391304Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0024-sc-391304Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
98008-06-1

Chemical Information

Fulvestrant sulfone

Fulvestrant 9-sulfone is a 3-hydroxy steroid.

CAS Number98008-06-1
PubChem CID10461567
IUPAC Name(7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfonyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular FormulaC32H47F5O4S
Molecular Weight622.8
XLogP9.6
Topological Polar Surface Area83
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Heavy Atom Count42
Formal Charge0
Complexity967
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)(=O)CCCC(C(F)(F)F)(F)F
InChI
InChI=1S/C32H47F5O4S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-42(40,41)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+/m1/s1
InChIKey
NQYWBGDKCPOMGL-LSVBPWPTSA-N
Chemical Structure
2D Structure
2D structure of Fulvestrant sulfone
CAS: 98008-06-1
CID: 10461567
Formula: C32H47F5O4S
MW: 622.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight622.8
XLogP39.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Exact Mass622.31152196
Monoisotopic Mass622.31152196
Topological Polar Surface Area83 Ų
Heavy Atom Count42
Formal Charge0
Complexity967
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-4909637β-Fulvestrant
sc-218542AFulvestrant-d3
sc-491519Δ6-Fulvestrant
sc-218542Fulvestrant-d3
sc-490968Fulvestrant 3-Sulfate Sodium Salt
sc-4910207β-Fulvestrant-d4
sc-490971Fulvestrant 17-Ketone
sc-4892066-Keto fulvestrant
sc-478795Fulvestrant Impurity C
sc-490965Fulvestrant 3-β-D-Glucuronide

Alternative Products

CatalogName
MBS6105110-01Fulvestrant 9-Sulfone
ESS0116-01Fulvestrant-9-sulfone
CS-O-43188Fulvestrant 9 sulfone D5
ESS0158-01Fulvestrant-9-sulfone-D3
T71710-01Fulvestrant sulfone
ESS0117-016,7-Dehydro Fulvestrant-9-sulfone
TRC-D477043-100MG6(7)-Dehydro Fulvestrant-9-sulfone
AR-F11017-01Fulvestrant Impurity 9
TRC-D862500-25MG9,11-Dehydro Fulvestrant
MBS6112524-01Fulvestrant ((7u,17beta)-7-[9-[4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17-diol, ICH-182780, Faslodex)

Popular Products