MPO-IN-28 10mg

CAT: 0628-A18941-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A18941-10Size:10 mg

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

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CAS Number

37836-90-1

Chemical Information

2-(7-Methoxy-4-methylquinazolin-2-yl)guanidine

a myeloperoxidase inhibitor; structure in first source

CAS Number	37836-90-1
PubChem CID	2835211
IUPAC Name	2-(7-methoxy-4-methylquinazolin-2-yl)guanidine
Molecular Formula	C11H13N5O
Molecular Weight	231.25
XLogP	0.7
Topological Polar Surface Area	99.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	292

SMILES

CC1=C2C=CC(=CC2=NC(=N1)N=C(N)N)OC

InChI

InChI=1S/C11H13N5O/c1-6-8-4-3-7(17-2)5-9(8)15-11(14-6)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16)

InChIKey

ZJBMSSBTCGJZEE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 37836-90-1

CID: 2835211

Formula: C11H13N5O

MW: 231.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.25
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	231.11201006
Monoisotopic Mass	231.11201006
Topological Polar Surface Area	99.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	292
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
T5340-01	MPO-IN-28
402208-01	MPO