LTA4H-IN-1

CAT: 0607-BA7174-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA7174-10Size:10 mg

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

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CAS Number

1799681-85-8

Form

A solid

Molecular Formula

C16H14ClFN6O3

Molecular Weight

392.77

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Lys006

CAS Number	1799681-85-8
PubChem CID	118166560
IUPAC Name	(3S)-3-amino-4-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid
Molecular Formula	C16H14ClFN6O3
Molecular Weight	392.77
XLogP	-0.4
Topological Polar Surface Area	129
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	499

SMILES

C1=CC(=CC=C1C2=NN(N=N2)C[C@H](CC(=O)O)N)OC3=C(C=C(C=N3)Cl)F

InChI

InChI=1S/C16H14ClFN6O3/c17-10-5-13(18)16(20-7-10)27-12-3-1-9(2-4-12)15-21-23-24(22-15)8-11(19)6-14(25)26/h1-5,7,11H,6,8,19H2,(H,25,26)/t11-/m0/s1

InChIKey

ZEGMEJVULDALSH-NSHDSACASA-N

Chemical Structure

2D Structure

CAS: 1799681-85-8

CID: 118166560

Formula: C16H14ClFN6O3

MW: 392.77

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	392.77
XLogP3	-0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	392.0799942
Monoisotopic Mass	392.0799942
Topological Polar Surface Area	129 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	499
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes