Ogerin

CAT: 0127-BUP12844-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12844-02Size:5 mg

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

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CAS Number

1309198-71-7

Purity

=98%

Smiles

Nc1nc(NCc2ccccc2)nc(n1)-c1ccccc1CO

Chemical Information

Ogerin

a GPR68 modulator; structure in first source

CAS Number	1309198-71-7
PubChem CID	56707820
IUPAC Name	[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol
Molecular Formula	C17H17N5O
Molecular Weight	307.35
XLogP	2.2
Topological Polar Surface Area	97
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	350

SMILES

C1=CC=C(C=C1)CNC2=NC(=NC(=N2)N)C3=CC=CC=C3CO

InChI

InChI=1S/C17H17N5O/c18-16-20-15(14-9-5-4-8-13(14)11-23)21-17(22-16)19-10-12-6-2-1-3-7-12/h1-9,23H,10-11H2,(H3,18,19,20,21,22)

InChIKey

MDGIEDNDSFMSLP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1309198-71-7

CID: 56707820

Formula: C17H17N5O

MW: 307.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	307.35
XLogP3	2.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	307.14331018
Monoisotopic Mass	307.14331018
Topological Polar Surface Area	97 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	350
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