DPTIP

CAT: 0607-BA8247-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8247-50Size:50 mg

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

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CAS Number

351353-48-5

Form

A solid

Molecular Formula

C21H18N2O3S

Molecular Weight

378.44

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

2,6-dimethoxy-4-(5-phenyl-4-(thiophen-2-yl)-1H-imidazol-2-yl)phenol

CAS Number	351353-48-5
PubChem CID	1131802
IUPAC Name	2,6-dimethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol
Molecular Formula	C21H18N2O3S
Molecular Weight	378.4
XLogP	4.4
Topological Polar Surface Area	95.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	462

SMILES

COC1=CC(=CC(=C1O)OC)C2=NC(=C(N2)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O3S/c1-25-15-11-14(12-16(26-2)20(15)24)21-22-18(13-7-4-3-5-8-13)19(23-21)17-9-6-10-27-17/h3-12,24H,1-2H3,(H,22,23)

InChIKey

JMXVHYPSBANVAQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 351353-48-5

CID: 1131802

Formula: C21H18N2O3S

MW: 378.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	378.4
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	378.10381361
Monoisotopic Mass	378.10381361
Topological Polar Surface Area	95.6 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	462
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BD171497-01	DPTIP
HY-131002A-01	DPTIP (hydrochloride)
T203310-01	DPTIP hydrochloride
HY-149025	DPTIP-prodrug 18
TBI4394-25MG	DPTIP, Neutral sphingomyelinase 2 inhibitor