RO-1138452 50mg

CAT: 0628-A17137-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A17137-50Size:50 mg

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

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CAS Number

221529-58-4

Chemical Information

(2-(4-(4-Isopropoxybenzyl)-phenylamino) imidazoline)

prostacyclin (prostanoid IP) receptor antagonist

CAS Number	221529-58-4
PubChem CID	9839644
IUPAC Name	N-[4-[(4-propan-2-yloxyphenyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
Molecular Formula	C19H23N3O
Molecular Weight	309.4
XLogP	3.6
Topological Polar Surface Area	45.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	23
Formal Charge	0
Complexity	380

SMILES

CC(C)OC1=CC=C(C=C1)CC2=CC=C(C=C2)NC3=NCCN3

InChI

InChI=1S/C19H23N3O/c1-14(2)23-18-9-5-16(6-10-18)13-15-3-7-17(8-4-15)22-19-20-11-12-21-19/h3-10,14H,11-13H2,1-2H3,(H2,20,21,22)

InChIKey

GYYRMJMXXLJZAB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 221529-58-4

CID: 9839644

Formula: C19H23N3O

MW: 309.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.4
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	309.184112366
Monoisotopic Mass	309.184112366
Topological Polar Surface Area	45.7 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	380
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