Ace-1

CAT: 0931-TYD-02992-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-TYD-02992-02Size:50 mg

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

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CAS Number

2260670-55-9

Target

Others

Related Pathways

Others

Bioactivity

ACe-1 is a ceramide derivative featuring an azobenzene segment that allows for optical control of the N-acyl chain. This compound can reversibly toggle lipid domains within raft-like bilayer membranes.

Smiles

N(=N/C1=CC=C(CCCC)C=C1)\C2=CC=C(CCCC(N[C@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)CO)=O)C=C2

Molecular Formula

C38H59N3O3

Molecular Weight

605.89

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

4-[4-[(4-butylphenyl)diazenyl]phenyl]-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]butanamide

CAS Number	2260670-55-9
PubChem CID	171322891
IUPAC Name	4-[4-[(4-butylphenyl)diazenyl]phenyl]-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]butanamide
Molecular Formula	C38H59N3O3
Molecular Weight	605.9
XLogP	11.4
Topological Polar Surface Area	94.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	25
Heavy Atom Count	44
Formal Charge	0
Complexity	742

SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)CCCC)O

InChI

InChI=1S/C38H59N3O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-37(43)36(31-42)39-38(44)22-18-20-33-25-29-35(30-26-33)41-40-34-27-23-32(24-28-34)19-6-4-2/h17,21,23-30,36-37,42-43H,3-16,18-20,22,31H2,1-2H3,(H,39,44)/b21-17+,41-40?/t36-,37+/m0/s1

InChIKey

YLXGVJCCZLVXAT-GJWAAGPDSA-N

Chemical Structure

2D Structure

CAS: 2260670-55-9

CID: 171322891

Formula: C38H59N3O3

MW: 605.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	605.9
XLogP3	11.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	25
Exact Mass	605.45564275
Monoisotopic Mass	605.45564275
Topological Polar Surface Area	94.3 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	742
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Ace-1

Chemical Information

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