Enpp-1-IN-16

CAT: 0607-BA8190-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8190-25Size:25 mg

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

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CAS Number

2289739-47-3

Form

A solid

Molecular Formula

C23H32N4O4

Molecular Weight

428.52

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Enpp-1-IN-16

CAS Number	2289739-47-3
PubChem CID	137536906
IUPAC Name	tert-butyl 8-(6,7-dimethoxyquinazolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
Molecular Formula	C23H32N4O4
Molecular Weight	428.5
XLogP	3.6
Topological Polar Surface Area	77
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	31
Formal Charge	0
Complexity	632

SMILES

CC(C)(C)OC(=O)N1CCC2(C1)CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C23H32N4O4/c1-22(2,3)31-21(28)27-11-8-23(14-27)6-9-26(10-7-23)20-16-12-18(29-4)19(30-5)13-17(16)24-15-25-20/h12-13,15H,6-11,14H2,1-5H3

InChIKey

USKNLBGKOOFYMG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2289739-47-3

CID: 137536906

Formula: C23H32N4O4

MW: 428.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	428.5
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	428.24235551
Monoisotopic Mass	428.24235551
Topological Polar Surface Area	77 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	632
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