SLF1081851

CAT: 0607-BA5457-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA5457-10Size:10 mg

Selected

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

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CAS Number

2763730-97-6

Form

A solid

Molecular Formula

C21H33N3O

Molecular Weight

343.51

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

Slf1081851

CAS Number	2763730-97-6
PubChem CID	164517202
IUPAC Name	3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
Molecular Formula	C21H33N3O
Molecular Weight	343.5
XLogP	6.6
Topological Polar Surface Area	64.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	13
Heavy Atom Count	25
Formal Charge	0
Complexity	318

SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=NOC(=N2)CCCN

InChI

InChI=1S/C21H33N3O/c1-2-3-4-5-6-7-8-9-11-18-13-15-19(16-14-18)21-23-20(25-24-21)12-10-17-22/h13-16H,2-12,17,22H2,1H3

InChIKey

VLTITRMWGPJCFJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2763730-97-6

CID: 164517202

Formula: C21H33N3O

MW: 343.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	343.5
XLogP3	6.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	13
Exact Mass	343.262362685
Monoisotopic Mass	343.262362685
Topological Polar Surface Area	64.9 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	318
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

Catalog	Name
T61112-01	SLF1081851
HY-149004B	SLF1081851 (hydrochloride)
GTR19234629-01	SLF1081851 hydrochloride
MBS5805529	SLF1081851 TFA
HY-149004A	SLF1081851 (TFA)
ENZ-CHM475-0025	SLF1081851 . hydrochloride
TBI4395-25MG	SLF1081851, Sphingosine-1-phosphate transporter inhibitor