CS-1001489
Hexadecanoic acid, 2-hexyl-3,5-dihydroxy-, monopotassium salt, [2S-(2R*,3S*,5R*)]-
Manufacturer: ChemScene
CAS Number: 145682-69-5
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₂H₄₄KO₄
Molecular Weight
411.68
Synonyms
None
SMILES
[C@@H]([C@@H](C[C@H](CCCCCCCCCCC)O)O)(CCCCCC)C(O)=O.[K]
Tpsa
77.76
Logp
5.3096
H Acceptors
3
H Donors
3
Rotatable Bonds
19
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₄₄KO₄
Molecular Weight: 411.68
Synonyms: None
SMILES: [C@@H]([C@@H](C[C@H](CCCCCCCCCCC)O)O)(CCCCCC)C(O)=O.[K]
Tpsa: 77.76
Logp: 5.3096
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 19
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₄₄KO₄
Molecular Weight:
411.68
Synonyms:
None
SMILES:
[C@@H]([C@@H](C[C@H](CCCCCCCCCCC)O)O)(CCCCCC)C(O)=O.[K]
Tpsa:
77.76
Logp:
5.3096
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
19
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₁Cl₃N₂OS
Molecular Weight: 373.68
Synonyms: None
SMILES: ClC1=CC=CC(OC2=CC3=C(N=C(SC)N3C)C=C2Cl)=C1Cl
Tpsa: 27.05
Logp: 6.0477
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₁Cl₃N₂OS
Molecular Weight:
373.68
Synonyms:
None
SMILES:
ClC1=CC=CC(OC2=CC3=C(N=C(SC)N3C)C=C2Cl)=C1Cl
Tpsa:
27.05
Logp:
6.0477
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₁Cl₃N₂OS
Molecular Weight: 373.68
Synonyms: None
SMILES: ClC1=CC=CC(OC2=CC=3N=C(SC)N(C3C=C2Cl)C)=C1Cl
Tpsa: 27.05
Logp: 6.0477
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₁Cl₃N₂OS
Molecular Weight:
373.68
Synonyms:
None
SMILES:
ClC1=CC=CC(OC2=CC=3N=C(SC)N(C3C=C2Cl)C)=C1Cl
Tpsa:
27.05
Logp:
6.0477
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₈N₆O₅S₃
Molecular Weight: 506.58
Synonyms: None
SMILES: C(O)(=O)C1N2[C@@]([C@H](NC(/C(=N\OC)/C3=CSC(N)=N3)=O)C2=O)(SC=C1/C=C\C4=C(C)N=CS4)[H]
Tpsa: 160.1
Logp: 1.29112
H Acceptors: 11
H Donors: 3
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₁₈N₆O₅S₃
Molecular Weight:
506.58
Synonyms:
None
SMILES:
C(O)(=O)C1N2[C@@]([C@H](NC(/C(=N\OC)/C3=CSC(N)=N3)=O)C2=O)(SC=C1/C=C\C4=C(C)N=CS4)[H]
Tpsa:
160.1
Logp:
1.29112
H Acceptors:
11
H Donors:
3
Rotatable Bonds:
7