SP-8356

CAT: 0127-BUP15261-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15261-04Size:50 mg

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

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CAS Number

1454885-45-0

Purity

=98%

Smiles

C(=C/C1=CC(OC)=C(O)C(O)=C1)\C=2[C@]3(C(C)(C)[C@](C3)(C(=O)C2)[H])[H]

Chemical Information

SP-8356

CD147 inhibitor

CAS Number	1454885-45-0
PubChem CID	72191360
IUPAC Name	(1S,5R)-4-[(E)-2-(3,4-dihydroxy-5-methoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-one
Molecular Formula	C18H20O4
Molecular Weight	300.3
XLogP	2.8
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	519

SMILES

CC1([C@H]2C[C@@H]1C(=O)C=C2/C=C/C3=CC(=C(C(=C3)OC)O)O)C

InChI

InChI=1S/C18H20O4/c1-18(2)12-9-13(18)14(19)8-11(12)5-4-10-6-15(20)17(21)16(7-10)22-3/h4-8,12-13,20-21H,9H2,1-3H3/b5-4+/t12-,13+/m0/s1

InChIKey

ITCSXIQQWJYZHT-QITAHTHBSA-N

Chemical Structure

2D Structure

CAS: 1454885-45-0

CID: 72191360

Formula: C18H20O4

MW: 300.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	300.3
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	300.13615911
Monoisotopic Mass	300.13615911
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	519
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP07528-01	SP-146
BUP04776-01	SP-420
BUP05012-01	SP-96
BUP04342-01	SP-13786
BUP03415-01	SP-100030
BUP02569-01	SP-141
BUP06497-01	SP 600125, negative control
BIN1002-01	Neosolaniol from Fusaruim sp.
BIS0504-01	Staurosporine, from Streptomyces sp.
BIT1005-01	Trichostatin A from Streptomyces sp.

Catalog	Name
GTR19175764-01	SP-8356
TL312429V	H3FJ (HIST1H3J) Human shRNA Lentiviral Particle (Locus ID 8356)
SR305473	H3FJ (HIST1H3J) Human siRNA Oligo Duplex (Locus ID 8356)
TL312429	H3FJ (HIST1H3J) Human shRNA Plasmid Kit (Locus ID 8356)
PA1347-M	SP-A
MBS3800915-01	Human SP-Selectin (SP-SEL) (SP-Selectin) ELISA Kit
C4120-5	SP 141
BA8637-5	SP-100030
BA3720-50	SP-96
BA8489-1	SP-10