TG100-115

CAT: 0024-sc-364634ASize: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-364634ASize:100 mg

Selected

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

Quick Request Actions

CAS Number

677297-51-7

Chemical Information

TG-100115

3-[2,4-diamino-7-(3-hydroxyphenyl)-6-pteridinyl]phenol is a member of pteridines.

CAS Number	677297-51-7
PubChem CID	10427712
IUPAC Name	3-[2,4-diamino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol
Molecular Formula	C18H14N6O2
Molecular Weight	346.3
XLogP	1.7
Topological Polar Surface Area	144
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	26
Formal Charge	0
Complexity	483

SMILES

C1=CC(=CC(=C1)O)C2=NC3=C(N=C(N=C3N=C2C4=CC(=CC=C4)O)N)N

InChI

InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24)

InChIKey

UJIAQDJKSXQLIT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 677297-51-7

CID: 10427712

Formula: C18H14N6O2

MW: 346.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	346.3
XLogP3	1.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	346.11782371
Monoisotopic Mass	346.11782371
Topological Polar Surface Area	144 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	483
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
MBS3605585-01	TG100-115