Bz- (Me) Tz-NHS

CAT: 0127-BUP05660-01Size: 2 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP05660-01Size:2 mg

Selected

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

Quick Request Actions

CAS Number

1454558-58-7

Purity

=95%

Smiles

O=C(ON1C(=O)CCC1=O)CCCC(=O)NCC=2C=CC(=CC2)C3=NN=C(N=N3)C

Chemical Information

Bz-(Me)Tz-NHS

CAS Number	1454558-58-7
PubChem CID	89856969
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 5-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-5-oxopentanoate
Molecular Formula	C19H20N6O5
Molecular Weight	412.4
XLogP	-1
Topological Polar Surface Area	144
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Heavy Atom Count	30
Formal Charge	0
Complexity	627

SMILES

CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCCC(=O)ON3C(=O)CCC3=O

InChI

InChI=1S/C19H20N6O5/c1-12-21-23-19(24-22-12)14-7-5-13(6-8-14)11-20-15(26)3-2-4-18(29)30-25-16(27)9-10-17(25)28/h5-8H,2-4,9-11H2,1H3,(H,20,26)

InChIKey

SAFWEESCGQHGHJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1454558-58-7

CID: 89856969

Formula: C19H20N6O5

MW: 412.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	412.4
XLogP3	-1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	412.14951776
Monoisotopic Mass	412.14951776
Topological Polar Surface Area	144 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	627
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