Ac-55541

CAT: 0127-OR1026543-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1026543-01Size:100 mg

Selected

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

Quick Request Actions

CAS Number

916170-19-9

Synonyms

N-[2-[ (2E) -2-[1- (3-bromophenyl) ethylidene]hydrazinyl]-2-oxo-1- (4-oxo-3H-phthalazin-1-yl) ethyl]benzamide

Purity

98%

Smiles

C/C(=N\NC(=O)C(C1=NNC(=O)C2=CC=CC=C21)NC(=O)C3=CC=CC=C3)/C4=CC(=CC=C4)Br

Chemical Information

AC-55541

AC-55541 is an organic molecular entity.

CAS Number	916170-19-9
PubChem CID	9589606
IUPAC Name	N-[2-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
Molecular Formula	C25H20BrN5O3
Molecular Weight	518.4
XLogP	4.1
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	34
Formal Charge	0
Complexity	838

SMILES

C/C(=N\NC(=O)C(C1=NNC(=O)C2=CC=CC=C21)NC(=O)C3=CC=CC=C3)/C4=CC(=CC=C4)Br

InChI

InChI=1S/C25H20BrN5O3/c1-15(17-10-7-11-18(26)14-17)28-31-25(34)22(27-23(32)16-8-3-2-4-9-16)21-19-12-5-6-13-20(19)24(33)30-29-21/h2-14,22H,1H3,(H,27,32)(H,30,33)(H,31,34)/b28-15+

InChIKey

UCUHFWIFSHROPY-RWPZCVJISA-N

Chemical Structure

2D Structure

CAS: 916170-19-9

CID: 9589606

Formula: C25H20BrN5O3

MW: 518.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	518.4
XLogP3	4.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	517.07495
Monoisotopic Mass	517.07495
Topological Polar Surface Area	112 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	838
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
OR36382-01	Ac-Lys (Ac) -OH
BUP10549-01	AC-262536
BUP16256-01	AC-55649
BUP04903-01	AC-261066
BUP12310-01	AC-186
BUP06169-01	AC-263093
BUP21415	Ac-Exatecan
BUP03254-01	AC 7739
BUP09054-01	AC-73
BUP13652-01	AC 45594

Alternative Products

Catalog	Name
T2370-01	AC-55541
A8669-25	AC 55541
A21211-5	AC-55541 5mg
A21211-2	AC-55541 2mg
A21211-200	AC-55541 200mg
A21211-100	AC-55541 100mg
A21211-50	AC-55541 50mg
A21211-10	AC-55541 10mg
A21211-25	AC-55541 25mg

Ac-55541

Chemical Information

Related Products

Alternative Products

Popular Products