Briciclib

CAT: 0926-QJB78399-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-QJB78399-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

865783-99-9

MDL Number

MFCD22665751

Smiles

COC1=C (C=C (C=C1) CS (=O) (=O) C=CC2=C (C=C (C=C2OC) OC) OC) OP (=O) (O) O

Molecular Formula

C19H23O10PS

Molecular Weight

474.42 g/mol

Controlled

Chemical Information

Briciclib

Briciclib has been used in trials studying the treatment of Lymphoma, Neoplasms, Advanced Solid Tumor, and Acute Lymphocytic Leukemia.

CAS Number	865783-99-9
PubChem CID	11248490
IUPAC Name	[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl] dihydrogen phosphate
Molecular Formula	C19H23O10PS
Molecular Weight	474.4
XLogP	1.3
Topological Polar Surface Area	146
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Heavy Atom Count	31
Formal Charge	0
Complexity	716

SMILES

COC1=C(C=C(C=C1)CS(=O)(=O)/C=C/C2=C(C=C(C=C2OC)OC)OC)OP(=O)(O)O

InChI

InChI=1S/C19H23O10PS/c1-25-14-10-17(27-3)15(18(11-14)28-4)7-8-31(23,24)12-13-5-6-16(26-2)19(9-13)29-30(20,21)22/h5-11H,12H2,1-4H3,(H2,20,21,22)/b8-7+

InChIKey

LXENKEWVEVKKGV-BQYQJAHWSA-N

Chemical Structure

2D Structure

CAS: 865783-99-9

CID: 11248490

Formula: C19H23O10PS

MW: 474.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	474.4
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Exact Mass	474.07495510
Monoisotopic Mass	474.07495510
Topological Polar Surface Area	146 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	716
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes