MS023

CAT: 0127-BUP12273-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12273-04Size:50 mg

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

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CAS Number

1831110-54-3

Purity

=98%

Smiles

CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN

Chemical Information

N1-((4-(4-isopropoxyphenyl)-1H-pyrrol-3-yl)methyl)-N1-methylethane-1,2-diamine

MS023 is a type I PRMTs inhibitor.

CAS Number	1831110-54-3
PubChem CID	92136227
IUPAC Name	N'-methyl-N'-[[4-(4-propan-2-yloxyphenyl)-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine
Molecular Formula	C17H25N3O
Molecular Weight	287.4
XLogP	2
Topological Polar Surface Area	54.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	21
Formal Charge	0
Complexity	290

SMILES

CC(C)OC1=CC=C(C=C1)C2=CNC=C2CN(C)CCN

InChI

InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3

InChIKey

FMTVWAGUJRUAKE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1831110-54-3

CID: 92136227

Formula: C17H25N3O

MW: 287.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	287.4
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	287.199762429
Monoisotopic Mass	287.199762429
Topological Polar Surface Area	54.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	290
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