Products for Research Use Only
RegisterLogin

Ibrutinib-biotin 25mg

CAT: 0628-A12238-25Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A12238-25Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1599432-18-4

Chemical Information

Ibrutinib-biotin
CAS Number1599432-18-4
PubChem CID73507493
IUPAC NameN'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[[(E)-4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-4-oxobut-2-enyl]-methylamino]butyl]pentanediamide
Molecular FormulaC56H80N12O9S
Molecular Weight1097.4
XLogP3
Topological Polar Surface Area284
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count35
Heavy Atom Count78
Formal Charge0
Complexity1830
SMILES
CN(CCCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C/C=C/C(=O)N3CCC[C@H](C3)N4C5=NC=NC(=C5C(=N4)C6=CC=C(C=C6)OC7=CC=CC=C7)N
InChI
InChI=1S/C56H80N12O9S/c1-66(30-11-21-50(72)67-31-10-14-42(38-67)68-55-51(54(57)61-40-62-55)52(65-68)41-22-24-44(25-23-41)77-43-15-3-2-4-16-43)29-8-7-26-58-48(70)19-9-20-49(71)60-28-13-33-75-35-37-76-36-34-74-32-12-27-59-47(69)18-6-5-17-46-53-45(39-78-46)63-56(73)64-53/h2-4,11,15-16,21-25,40,42,45-46,53H,5-10,12-14,17-20,26-39H2,1H3,(H,58,70)(H,59,69)(H,60,71)(H2,57,61,62)(H2,63,64,73)/b21-11+/t42-,45+,46+,53+/m1/s1
InChIKey
MZBZKVGVMZPBPH-AQXPWDSUSA-N
Chemical Structure
2D Structure
2D structure of Ibrutinib-biotin
CAS: 1599432-18-4
CID: 73507493
Formula: C56H80N12O9S
MW: 1097.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1097.4
XLogP33
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count35
Exact Mass1096.58919335
Monoisotopic Mass1096.58919335
Topological Polar Surface Area284 Ų
Heavy Atom Count78
Formal Charge0
Complexity1830
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
A12238-10Ibrutinib-biotin 10mg
A12238-5Ibrutinib-biotin 5mg
A12238-100Ibrutinib-biotin 100mg
A12238-50Ibrutinib-biotin 50mg
A18646-25Biotin sulfone 25mg
A14904-25Biotin-HPDP 25mg
A13617-25FP-Biotin 25mg
A14900-25Sulfo-NHS-Biotin 25mg
A17099-25Biotin-PEG3-amine 25mg
A20384-25Biotin-VAD-FMK 25mg

Alternative Products

CatalogName
T18049-01Ibrutinib-biotin
ZNC43218-01Ibrutinib-biotin-1
HY-10997-01Ibrutinib

Popular Products