LB-60-OF61

CAT: 0607-BA8046-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8046-1Size:1 mg

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

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CAS Number

794461-93-1

Form

A solid

Molecular Formula

C29H30N6O2

Molecular Weight

494.59

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

CID 134692422

CAS Number	794461-93-1
PubChem CID	134692422
IUPAC Name	4-[[2-cyano-7-(2-cyclohexylethyl)pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]-N-(pyridin-3-ylmethyl)benzamide
Molecular Formula	C29H30N6O2
Molecular Weight	494.6
XLogP	4.9
Topological Polar Surface Area	106
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	37
Formal Charge	0
Complexity	772

SMILES

C1CCC(CC1)CCN2C(=CC3=CN=C(N=C32)C#N)COC4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C29H30N6O2/c30-16-27-32-19-24-15-25(35(28(24)34-27)14-12-21-5-2-1-3-6-21)20-37-26-10-8-23(9-11-26)29(36)33-18-22-7-4-13-31-17-22/h4,7-11,13,15,17,19,21H,1-3,5-6,12,14,18,20H2,(H,33,36)

InChIKey

GCWGKOCPENDNLZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 794461-93-1

CID: 134692422

Formula: C29H30N6O2

MW: 494.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	494.6
XLogP3	4.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	494.24302422
Monoisotopic Mass	494.24302422
Topological Polar Surface Area	106 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	772
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

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UGB46193-01	LB-60-OF61
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A20409-10	LB-60-OF61 10mg
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HY-101280R	LB-60-OF61 (Standard)
HY-101280A	LB-60-OF61 (hydrochloride)
T40855	LB-60-OF61 hydrochloride
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A20409-5	LB-60-OF61 5mg

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