CS-1004114
Tadalafil Impurity 117
Manufacturer: ChemScene
CAS Number: 531500-52-4
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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
C₂₂H₁₇N₃O₅
Molecular Weight
403.39
Synonyms
None
SMILES
O=C1N2[C@@H](C3=C([C@]2(C(=O)N(C)C1)[H])C(=O)C=4C(N3)=CC=CC4)C=5C=C6C(=CC5)OCO6
Tpsa
91.94
Logp
1.7015
H Acceptors
5
H Donors
1
Rotatable Bonds
1
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 531500-52-4 | | A2B Chem | -- |
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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: C₂₂H₁₇N₃O₅
Molecular Weight: 403.39
Synonyms: None
SMILES: O=C1N2[C@@H](C3=C([C@]2(C(=O)N(C)C1)[H])C(=O)C=4C(N3)=CC=CC4)C=5C=C6C(=CC5)OCO6
Tpsa: 91.94
Logp: 1.7015
H Acceptors: 5
H Donors: 1
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:
C₂₂H₁₇N₃O₅
Molecular Weight:
403.39
Synonyms:
None
SMILES:
O=C1N2[C@@H](C3=C([C@]2(C(=O)N(C)C1)[H])C(=O)C=4C(N3)=CC=CC4)C=5C=C6C(=CC5)OCO6
Tpsa:
91.94
Logp:
1.7015
H Acceptors:
5
H Donors:
1
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: C₁₅H₂₆O₉S
Molecular Weight: 382.43
Synonyms: None
SMILES: C(OS(OC(C)C)(=O)=O)[C@@H]1[C@]2([C@@]([C@@]3([C@](O1)(OC(C)(C)O3)[H])[H])(OC(C)(C)O2)[H])[H]
Tpsa: 98.75
Logp: 1.0693
H Acceptors: 9
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₆O₉S
Molecular Weight:
382.43
Synonyms:
None
SMILES:
C(OS(OC(C)C)(=O)=O)[C@@H]1[C@]2([C@@]([C@@]3([C@](O1)(OC(C)(C)O3)[H])[H])(OC(C)(C)O2)[H])[H]
Tpsa:
98.75
Logp:
1.0693
H Acceptors:
9
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₄O₉S
Molecular Weight: 368.40
Synonyms: None
SMILES: C(OS(OCC)(=O)=O)[C@@H]1[C@]2([C@@]([C@@]3([C@](O1)(OC(C)(C)O3)[H])[H])(OC(C)(C)O2)[H])[H]
Tpsa: 98.75
Logp: 0.6808
H Acceptors: 9
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₄O₉S
Molecular Weight:
368.40
Synonyms:
None
SMILES:
C(OS(OCC)(=O)=O)[C@@H]1[C@]2([C@@]([C@@]3([C@](O1)(OC(C)(C)O3)[H])[H])(OC(C)(C)O2)[H])[H]
Tpsa:
98.75
Logp:
0.6808
H Acceptors:
9
H Donors:
0
Rotatable Bonds:
5
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₄Cl₂O
Molecular Weight: 281.18
Synonyms: None
SMILES: ClC1=CC=C(C=C1)C(OCCCl)C=2C=CC=CC2
Tpsa: 9.23
Logp: 4.6848
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 5
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₄Cl₂O
Molecular Weight:
281.18
Synonyms:
None
SMILES:
ClC1=CC=C(C=C1)C(OCCCl)C=2C=CC=CC2
Tpsa:
9.23
Logp:
4.6848
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
5