CS-0914311
monocalcium bis[(S,2Z,6E)-7-(2-cyclopropyl-4-(4-fluorophenyl) quinolin-3-yl)-5-hydroxyhepta-2,6-dienoate]
Manufacturer: ChemScene
CAS Number: 1661006-17-2
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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
C₂₅H₂₂CaFNO₃
Molecular Weight
443.52
Synonyms
None
SMILES
C(=C/[C@H](C/C=C\C(O)=O)O)\C1=C(C2=C(N=C1C3CC3)C=CC=C2)C4=CC=C(F)C=C4.[Ca]
Tpsa
70.42
Logp
4.9425
H Acceptors
3
H Donors
2
Rotatable Bonds
7
Related Products
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: C₂₅H₂₂CaFNO₃
Molecular Weight: 443.52
Synonyms: None
SMILES: C(=C/[C@H](C/C=C\C(O)=O)O)\C1=C(C2=C(N=C1C3CC3)C=CC=C2)C4=CC=C(F)C=C4.[Ca]
Tpsa: 70.42
Logp: 4.9425
H Acceptors: 3
H Donors: 2
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:
C₂₅H₂₂CaFNO₃
Molecular Weight:
443.52
Synonyms:
None
SMILES:
C(=C/[C@H](C/C=C\C(O)=O)O)\C1=C(C2=C(N=C1C3CC3)C=CC=C2)C4=CC=C(F)C=C4.[Ca]
Tpsa:
70.42
Logp:
4.9425
H Acceptors:
3
H Donors:
2
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: C₂₅H₂₄FNO₄
Molecular Weight: 421.46
Synonyms: None
SMILES: [C@@H](C[C@H](CC(O)=O)O)(O)C1(CC2=C(C=3C1=CC(F)=CC3)C=4C(N=C2C5CC5)=CC=CC4)[H]
Tpsa: 90.65
Logp: 4.1446
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₄FNO₄
Molecular Weight:
421.46
Synonyms:
None
SMILES:
[C@@H](C[C@H](CC(O)=O)O)(O)C1(CC2=C(C=3C1=CC(F)=CC3)C=4C(N=C2C5CC5)=CC=CC4)[H]
Tpsa:
90.65
Logp:
4.1446
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₂₂FNO₄
Molecular Weight: 419.44
Synonyms: None
SMILES: C(=C/[C@H](CC(CC(O)=O)=O)O)\C1=C(C2=C(N=C1C3CC3)C=CC=C2)C4=CC=C(F)C=C4
Tpsa: 87.49
Logp: 4.7263
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₂FNO₄
Molecular Weight:
419.44
Synonyms:
None
SMILES:
C(=C/[C@H](CC(CC(O)=O)=O)O)\C1=C(C2=C(N=C1C3CC3)C=CC=C2)C4=CC=C(F)C=C4
Tpsa:
87.49
Logp:
4.7263
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₃₂O₂
Molecular Weight: 292.46
Synonyms: None
SMILES: C[C@@]12[C@@]([C@@H](/C=C/[C@H](C(C)(C)O)C)C)(CC[C@]1(C(=O)CCC2)[H])[H]
Tpsa: 37.3
Logp: 4.3712
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₃₂O₂
Molecular Weight:
292.46
Synonyms:
None
SMILES:
C[C@@]12[C@@]([C@@H](/C=C/[C@H](C(C)(C)O)C)C)(CC[C@]1(C(=O)CCC2)[H])[H]
Tpsa:
37.3
Logp:
4.3712
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
4