CS-0914012
(S,Z)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-5-hydroxyhept-2-enoic acid calcium(II)
Manufacturer: ChemScene
CAS Number: 1659317-57-3
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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
C₃₃H₃₃CaFN₂O₄
Molecular Weight
580.70
Synonyms
None
SMILES
C(NC1=CC=CC=C1)(=O)C=2C(=C(N(CC[C@H](C/C=C\C(O)=O)O)C2C(C)C)C3=CC=C(F)C=C3)C4=CC=CC=C4.[Ca]
Tpsa
91.56
Logp
6.738
H Acceptors
4
H Donors
3
Rotatable Bonds
11
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: C₃₃H₃₃CaFN₂O₄
Molecular Weight: 580.70
Synonyms: None
SMILES: C(NC1=CC=CC=C1)(=O)C=2C(=C(N(CC[C@H](C/C=C\C(O)=O)O)C2C(C)C)C3=CC=C(F)C=C3)C4=CC=CC=C4.[Ca]
Tpsa: 91.56
Logp: 6.738
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₃₃CaFN₂O₄
Molecular Weight:
580.70
Synonyms:
None
SMILES:
C(NC1=CC=CC=C1)(=O)C=2C(=C(N(CC[C@H](C/C=C\C(O)=O)O)C2C(C)C)C3=CC=C(F)C=C3)C4=CC=CC=C4.[Ca]
Tpsa:
91.56
Logp:
6.738
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₈H₄₃FN₂O₅
Molecular Weight: 626.76
Synonyms: None
SMILES: C(NC1=CC=CC=C1)(=O)C=2C(=C(N(CC[C@@H]3C[C@H](CC(OCC)=O)OC(C)(C)O3)C2C(C)C)C4=CC=C(F)C=C4)C5=CC=CC=C5
Tpsa: 78.79
Logp: 8.5904
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₄₃FN₂O₅
Molecular Weight:
626.76
Synonyms:
None
SMILES:
C(NC1=CC=CC=C1)(=O)C=2C(=C(N(CC[C@@H]3C[C@H](CC(OCC)=O)OC(C)(C)O3)C2C(C)C)C4=CC=C(F)C=C4)C5=CC=CC=C5
Tpsa:
78.79
Logp:
8.5904
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₇H₄₁FN₂O₅
Molecular Weight: 612.73
Synonyms: None
SMILES: C(NC1=CC=CC=C1)(=O)C=2C(=C(N(CC[C@@H]3C[C@H](CC(OC)=O)OC(C)(C)O3)C2C(C)C)C4=CC=C(F)C=C4)C5=CC=CC=C5
Tpsa: 78.79
Logp: 8.2003
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₄₁FN₂O₅
Molecular Weight:
612.73
Synonyms:
None
SMILES:
C(NC1=CC=CC=C1)(=O)C=2C(=C(N(CC[C@@H]3C[C@H](CC(OC)=O)OC(C)(C)O3)C2C(C)C)C4=CC=C(F)C=C4)C5=CC=CC=C5
Tpsa:
78.79
Logp:
8.2003
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₀H₄₇FN₂O₅
Molecular Weight: 654.81
Synonyms: None
SMILES: C(C[C@@H]1C[C@H](CC(OC(C)(C)C)=O)OC(C)(C)O1)N2C(=C(C(C(NC3=CC=CC=C3)=O)=C2C(C)C)C4=CC=CC=C4)C5=C(F)C=CC=C5
Tpsa: 78.79
Logp: 9.369
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₀H₄₇FN₂O₅
Molecular Weight:
654.81
Synonyms:
None
SMILES:
C(C[C@@H]1C[C@H](CC(OC(C)(C)C)=O)OC(C)(C)O1)N2C(=C(C(C(NC3=CC=CC=C3)=O)=C2C(C)C)C4=CC=CC=C4)C5=C(F)C=CC=C5
Tpsa:
78.79
Logp:
9.369
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
10