CS-0914016
(3R,5R)-tert-butyl 7-(2-(2-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
Manufacturer: ChemScene
CAS Number: 2588261-37-2
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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
C₃₇H₄₃FN₂O₅
Molecular Weight
614.75
Synonyms
None
SMILES
C(C[C@H](C[C@H](CC(OC(C)(C)C)=O)O)O)N1C(=C(C(C(NC2=CC=CC=C2)=O)=C1C(C)C)C3=CC=CC=C3)C4=C(F)C=CC=C4
Tpsa
100.79
Logp
7.5707
H Acceptors
6
H Donors
3
Rotatable Bonds
12
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: C₃₇H₄₃FN₂O₅
Molecular Weight: 614.75
Synonyms: None
SMILES: C(C[C@H](C[C@H](CC(OC(C)(C)C)=O)O)O)N1C(=C(C(C(NC2=CC=CC=C2)=O)=C1C(C)C)C3=CC=CC=C3)C4=C(F)C=CC=C4
Tpsa: 100.79
Logp: 7.5707
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₄₃FN₂O₅
Molecular Weight:
614.75
Synonyms:
None
SMILES:
C(C[C@H](C[C@H](CC(OC(C)(C)C)=O)O)O)N1C(=C(C(C(NC2=CC=CC=C2)=O)=C1C(C)C)C3=CC=CC=C3)C4=C(F)C=CC=C4
Tpsa:
100.79
Logp:
7.5707
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
12
Purity: 96%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₃H₃₅CaFN₂O₅
Molecular Weight: 598.72
Synonyms: None
SMILES: C(C[C@H](C[C@H](CC(O)=O)O)O)N1C(=C(C(C(NC2=CC=CC=C2)=O)=C1C(C)C)C3=CC=CC=C3)C4=C(F)C=CC=C4.[Ca]
Tpsa: 111.79
Logp: 5.9328
H Acceptors: 5
H Donors: 4
Rotatable Bonds: 12
Purity:
96%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₃₅CaFN₂O₅
Molecular Weight:
598.72
Synonyms:
None
SMILES:
C(C[C@H](C[C@H](CC(O)=O)O)O)N1C(=C(C(C(NC2=CC=CC=C2)=O)=C1C(C)C)C3=CC=CC=C3)C4=C(F)C=CC=C4.[Ca]
Tpsa:
111.79
Logp:
5.9328
H Acceptors:
5
H Donors:
4
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₃₀FNO₄
Molecular Weight: 439.52
Synonyms: None
SMILES: C(C[C@H](C[C@H](CC(O)=O)O)O)N1C(=C(C=C1C(C)C)C2=CC=CC=C2)C3=CC=C(F)C=C3
Tpsa: 82.69
Logp: 5.0613
H Acceptors: 4
H Donors: 3
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:
C₂₆H₃₀FNO₄
Molecular Weight:
439.52
Synonyms:
None
SMILES:
C(C[C@H](C[C@H](CC(O)=O)O)O)N1C(=C(C=C1C(C)C)C2=CC=CC=C2)C3=CC=C(F)C=C3
Tpsa:
82.69
Logp:
5.0613
H Acceptors:
4
H Donors:
3
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: C₄₈H₆₇FN₂O₉
Molecular Weight: 835.05
Synonyms: None
SMILES: C(C[C@@H]1C[C@H](CC(OC(C)(C)C)=O)OC(C)(C)O1)N2C(=C(C(C(NCC[C@@H]3C[C@H](CC(OC(C)(C)C)=O)OC(C)(C)O3)=O)=C2C(C)C)C4=CC=CC=C4)C5=CC=C(F)C=C5
Tpsa: 123.55
Logp: 9.8786
H Acceptors: 10
H Donors: 1
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₈H₆₇FN₂O₉
Molecular Weight:
835.05
Synonyms:
None
SMILES:
C(C[C@@H]1C[C@H](CC(OC(C)(C)C)=O)OC(C)(C)O1)N2C(=C(C(C(NCC[C@@H]3C[C@H](CC(OC(C)(C)C)=O)OC(C)(C)O3)=O)=C2C(C)C)C4=CC=CC=C4)C5=CC=C(F)C=C5
Tpsa:
123.55
Logp:
9.8786
H Acceptors:
10
H Donors:
1
Rotatable Bonds:
14