CS-1001415
Rilpivirine Impurity 10
Manufacturer: ChemScene
CAS Number: 1437791-52-0
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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
C₂₈H₂₆N₆O₆
Molecular Weight
542.54
Synonyms
None
SMILES
O[C@H]1[C@@H](O[C@H](C([O-])=O)[C@@H](O)[C@@H]1O)[N+]=2C(NC3=CC=C(C#N)C=C3)=NC(NC4=C(C)C=C(/C=C/C#N)C=C4C)=CC2
Tpsa
198.46
Logp
0.6116
H Acceptors
11
H Donors
5
Rotatable Bonds
7
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: C₂₈H₂₆N₆O₆
Molecular Weight: 542.54
Synonyms: None
SMILES: O[C@H]1[C@@H](O[C@H](C([O-])=O)[C@@H](O)[C@@H]1O)[N+]=2C(NC3=CC=C(C#N)C=C3)=NC(NC4=C(C)C=C(/C=C/C#N)C=C4C)=CC2
Tpsa: 198.46
Logp: 0.6116
H Acceptors: 11
H Donors: 5
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:
C₂₈H₂₆N₆O₆
Molecular Weight:
542.54
Synonyms:
None
SMILES:
O[C@H]1[C@@H](O[C@H](C([O-])=O)[C@@H](O)[C@@H]1O)[N+]=2C(NC3=CC=C(C#N)C=C3)=NC(NC4=C(C)C=C(/C=C/C#N)C=C4C)=CC2
Tpsa:
198.46
Logp:
0.6116
H Acceptors:
11
H Donors:
5
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: C₅H₁₂ClN
Molecular Weight: 121.61
Synonyms: None
SMILES: [Cl-].CC1C[N+]1(C)C
Tpsa: 0
Logp: -2.5311
H Acceptors: 0
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₁₂ClN
Molecular Weight:
121.61
Synonyms:
None
SMILES:
[Cl-].CC1C[N+]1(C)C
Tpsa:
0
Logp:
-2.5311
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₂₀O₂
Molecular Weight: 184.28
Synonyms: None
SMILES: O=C(OCC)C(C)(C)CCCC=C
Tpsa: 26.3
Logp: 2.932
H Acceptors: 2
H Donors: 0
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:
C₁₁H₂₀O₂
Molecular Weight:
184.28
Synonyms:
None
SMILES:
O=C(OCC)C(C)(C)CCCC=C
Tpsa:
26.3
Logp:
2.932
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
6
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₂O₄
Molecular Weight: 148.16
Synonyms: None
SMILES: O=C(OCC(O)C)C(O)C
Tpsa: 66.76
Logp: -0.7088
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₂O₄
Molecular Weight:
148.16
Synonyms:
None
SMILES:
O=C(OCC(O)C)C(O)C
Tpsa:
66.76
Logp:
-0.7088
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3