CS-1003901
Atazanavir Impurity 15
Manufacturer: ChemScene
CAS Number: 437713-06-9
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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
C₂₂H₂₆N₄O
Molecular Weight
362.47
Synonyms
None
SMILES
C(N(C[C@@H]([C@H](CC1=CC=CC=C1)N)O)N)C2=CC=C(C=C2)C3=CC=CC=N3
Tpsa
88.4
Logp
2.3552
H Acceptors
5
H Donors
3
Rotatable Bonds
8
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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: C₂₂H₂₆N₄O
Molecular Weight: 362.47
Synonyms: None
SMILES: C(N(C[C@@H]([C@H](CC1=CC=CC=C1)N)O)N)C2=CC=C(C=C2)C3=CC=CC=N3
Tpsa: 88.4
Logp: 2.3552
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₆N₄O
Molecular Weight:
362.47
Synonyms:
None
SMILES:
C(N(C[C@@H]([C@H](CC1=CC=CC=C1)N)O)N)C2=CC=C(C=C2)C3=CC=CC=N3
Tpsa:
88.4
Logp:
2.3552
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₇NO₃
Molecular Weight: 329.43
Synonyms: None
SMILES: O(CC1=CC=CC=C1)C2=C(CO)C=C([C@@H](CNC(C)(C)C)O)C=C2
Tpsa: 61.72
Logp: 3.1794
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₇NO₃
Molecular Weight:
329.43
Synonyms:
None
SMILES:
O(CC1=CC=CC=C1)C2=C(CO)C=C([C@@H](CNC(C)(C)C)O)C=C2
Tpsa:
61.72
Logp:
3.1794
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₄H₄₈N₄O₄S₂
Molecular Weight: 761.01
Synonyms: None
SMILES: C(CS(=O)(=O)C1=CC=CC=C1)(N2C=3C(C(C[C@@H]4N(C)CCC4)=C2)=CC(/C=C/S(=O)(=O)C5=CC=CC=C5)=CC3)C=6C=C7C(C[C@@H]8N(C)CCC8)=CNC7=CC6
Tpsa: 95.48
Logp: 7.9039
H Acceptors: 7
H Donors: 1
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:
C₄₄H₄₈N₄O₄S₂
Molecular Weight:
761.01
Synonyms:
None
SMILES:
C(CS(=O)(=O)C1=CC=CC=C1)(N2C=3C(C(C[C@@H]4N(C)CCC4)=C2)=CC(/C=C/S(=O)(=O)C5=CC=CC=C5)=CC3)C=6C=C7C(C[C@@H]8N(C)CCC8)=CNC7=CC6
Tpsa:
95.48
Logp:
7.9039
H Acceptors:
7
H Donors:
1
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: C₁₇H₁₉N₃O₄
Molecular Weight: 329.35
Synonyms: None
SMILES: O=CNCCN(C1=CC=C2C(=O)C(=CN(C2=C1)C3CC3)C(=O)O)C
Tpsa: 91.64
Logp: 1.2168
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₉N₃O₄
Molecular Weight:
329.35
Synonyms:
None
SMILES:
O=CNCCN(C1=CC=C2C(=O)C(=CN(C2=C1)C3CC3)C(=O)O)C
Tpsa:
91.64
Logp:
1.2168
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
7