CS-0914026
(2Z,4E)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)hepta-2,4-dienoic acid
Manufacturer: ChemScene
CAS Number: 1148131-09-2
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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
C₃₃H₃₁FN₂O₃
Molecular Weight
522.61
Synonyms
None
SMILES
C(NC1=CC=CC=C1)(=O)C=2C(=C(N(CC/C=C/C=C\C(O)=O)C2C(C)C)C3=CC=C(F)C=C3)C4=CC=CC=C4
Tpsa
71.33
Logp
7.924
H Acceptors
3
H Donors
2
Rotatable Bonds
10
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: C₃₃H₃₁FN₂O₃
Molecular Weight: 522.61
Synonyms: None
SMILES: C(NC1=CC=CC=C1)(=O)C=2C(=C(N(CC/C=C/C=C\C(O)=O)C2C(C)C)C3=CC=C(F)C=C3)C4=CC=CC=C4
Tpsa: 71.33
Logp: 7.924
H Acceptors: 3
H Donors: 2
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:
C₃₃H₃₁FN₂O₃
Molecular Weight:
522.61
Synonyms:
None
SMILES:
C(NC1=CC=CC=C1)(=O)C=2C(=C(N(CC/C=C/C=C\C(O)=O)C2C(C)C)C3=CC=C(F)C=C3)C4=CC=CC=C4
Tpsa:
71.33
Logp:
7.924
H Acceptors:
3
H Donors:
2
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: C₃₃H₃₁FN₂O₅
Molecular Weight: 554.61
Synonyms: None
SMILES: C(NC1=CC=CC=C1)(=O)C2(C(C)C)C=3C(=C4C(=C5C3C=CC=C5)C=C(F)C=C4)N(CC[C@@H]6C[C@@H](O)CC(=O)O6)C2=O
Tpsa: 95.94
Logp: 5.4678
H Acceptors: 5
H Donors: 2
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:
C₃₃H₃₁FN₂O₅
Molecular Weight:
554.61
Synonyms:
None
SMILES:
C(NC1=CC=CC=C1)(=O)C2(C(C)C)C=3C(=C4C(=C5C3C=CC=C5)C=C(F)C=C4)N(CC[C@@H]6C[C@@H](O)CC(=O)O6)C2=O
Tpsa:
95.94
Logp:
5.4678
H Acceptors:
5
H Donors:
2
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: C₁₅H₂₁Br₂ClN₂O
Molecular Weight: 440.60
Synonyms: None
SMILES: BrC1=C2C(CN(CCN2)[C@H]3CC[C@H](O)CC3)=CC(Br)=C1.Cl
Tpsa: 35.5
Logp: 4.1644
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₁Br₂ClN₂O
Molecular Weight:
440.60
Synonyms:
None
SMILES:
BrC1=C2C(CN(CCN2)[C@H]3CC[C@H](O)CC3)=CC(Br)=C1.Cl
Tpsa:
35.5
Logp:
4.1644
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₂N₄O₅
Molecular Weight: 244.20
Synonyms: None
SMILES: O[C@@H]1[C@H](O[C@@H](CO)[C@@H]1O)N2C(=O)N=C(N)N=C2
Tpsa: 143.72
Logp: -3.168
H Acceptors: 9
H Donors: 4
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₂N₄O₅
Molecular Weight:
244.20
Synonyms:
None
SMILES:
O[C@@H]1[C@H](O[C@@H](CO)[C@@H]1O)N2C(=O)N=C(N)N=C2
Tpsa:
143.72
Logp:
-3.168
H Acceptors:
9
H Donors:
4
Rotatable Bonds:
2