CS-0614413
rel-(6'R,8a'R)-6'-(Benzo[d][1,3]dioxol-5-yl)-2'-methyl-2',3',8',8a'-tetrahydro-1'H-spiro[indoline-3,7'-pyrrolo[1,2-a]pyrazine]-1',2,4'(6'H)-trione Tadalafil Impurity
Manufacturer: ChemScene
CAS Number: 1795790-92-9
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Purity
98%
MDL No
None
Storage
4°C
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₂H₁₉N₃O₅
Molecular Weight
405.40
Synonyms
None
SMILES
O=C1C2(C3=CC=CC=C3N1)[C@](C4=CC=C(OCO5)C5=C4)([H])N6[C@](C(N(CC6=O)C)=O)([H])C2
Tpsa
88.18
Logp
1.4194
H Acceptors
5
H Donors
1
Rotatable Bonds
1
SAFETY INFORMATION
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: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₁₉N₃O₅
Molecular Weight: 405.40
Synonyms: None
SMILES: O=C1C2(C3=CC=CC=C3N1)[C@](C4=CC=C(OCO5)C5=C4)([H])N6[C@](C(N(CC6=O)C)=O)([H])C2
Tpsa: 88.18
Logp: 1.4194
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₁₉N₃O₅
Molecular Weight:
405.40
Synonyms:
None
SMILES:
O=C1C2(C3=CC=CC=C3N1)[C@](C4=CC=C(OCO5)C5=C4)([H])N6[C@](C(N(CC6=O)C)=O)([H])C2
Tpsa:
88.18
Logp:
1.4194
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₇N₃O₃
Molecular Weight: 335.36
Synonyms: None
SMILES: O=C([C@H]1CC2=C([C@@H](C3=CC=C(OCO4)C4=C3)N1)NC5=C2C=CC=C5)N
Tpsa: 89.37
Logp: 1.9856
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₁₇N₃O₃
Molecular Weight:
335.36
Synonyms:
None
SMILES:
O=C([C@H]1CC2=C([C@@H](C3=CC=C(OCO4)C4=C3)N1)NC5=C2C=CC=C5)N
Tpsa:
89.37
Logp:
1.9856
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₀ClN₃O₄
Molecular Weight: 425.86
Synonyms: None
SMILES: O=C([C@H]1CC2=C([C@H](C3=CC=C(OCO4)C4=C3)N1C(CCl)=O)NC5=C2C=CC=C5)NC
Tpsa: 83.66
Logp: 2.7241
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₀ClN₃O₄
Molecular Weight:
425.86
Synonyms:
None
SMILES:
O=C([C@H]1CC2=C([C@H](C3=CC=C(OCO4)C4=C3)N1C(CCl)=O)NC5=C2C=CC=C5)NC
Tpsa:
83.66
Logp:
2.7241
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₈F₆N₄O
Molecular Weight: 398.26
Synonyms: None
SMILES: N#CC1=CC=C(NC(NC2=CC=C(C(C(F)(F)F)=C2)C#N)=O)C=C1C(F)(F)F
Tpsa: 88.71
Logp: 5.11156
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₈F₆N₄O
Molecular Weight:
398.26
Synonyms:
None
SMILES:
N#CC1=CC=C(NC(NC2=CC=C(C(C(F)(F)F)=C2)C#N)=O)C=C1C(F)(F)F
Tpsa:
88.71
Logp:
5.11156
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2