CS-1001152
Dolutegravir Impurity 42
Manufacturer: ChemScene
CAS Number: 1357289-29-2
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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
C₂₀H₁₉F₂N₃O₅
Molecular Weight
419.38
Synonyms
None
SMILES
O=C1C=2N(C[C@@]3(N1[C@H](C)CCO3)[H])C=C(C(NCC4=C(F)C=C(F)C=C4)=O)C(=O)C2O
Tpsa
100.87
Logp
1.3528
H Acceptors
6
H Donors
2
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1357289-29-2 | DolutegravirRRIsomer | A2B Chem | -- |
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: C₂₀H₁₉F₂N₃O₅
Molecular Weight: 419.38
Synonyms: None
SMILES: O=C1C=2N(C[C@@]3(N1[C@H](C)CCO3)[H])C=C(C(NCC4=C(F)C=C(F)C=C4)=O)C(=O)C2O
Tpsa: 100.87
Logp: 1.3528
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₁₉F₂N₃O₅
Molecular Weight:
419.38
Synonyms:
None
SMILES:
O=C1C=2N(C[C@@]3(N1[C@H](C)CCO3)[H])C=C(C(NCC4=C(F)C=C(F)C=C4)=O)C(=O)C2O
Tpsa:
100.87
Logp:
1.3528
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₂N₂O
Molecular Weight: 294.39
Synonyms: None
SMILES: O=C1C2=C3C(=CN1[C@@H]4C5CCN(C4)CC5)CCCC3=CC=C2
Tpsa: 25.24
Logp: 2.7569
H Acceptors: 3
H Donors: 0
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:
C₁₉H₂₂N₂O
Molecular Weight:
294.39
Synonyms:
None
SMILES:
O=C1C2=C3C(=CN1[C@@H]4C5CCN(C4)CC5)CCCC3=CC=C2
Tpsa:
25.24
Logp:
2.7569
H Acceptors:
3
H Donors:
0
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: C₁₈H₂₀ClNO₂S
Molecular Weight: 349.87
Synonyms: None
SMILES: [C@H](C(OC(C)C)=O)(N1CC2=C(CC1)SC=C2)C3=C(Cl)C=CC=C3
Tpsa: 29.54
Logp: 4.4525
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₀ClNO₂S
Molecular Weight:
349.87
Synonyms:
None
SMILES:
[C@H](C(OC(C)C)=O)(N1CC2=C(CC1)SC=C2)C3=C(Cl)C=CC=C3
Tpsa:
29.54
Logp:
4.4525
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₀O₈
Molecular Weight: 388.37
Synonyms: None
SMILES: O=C(O)C1C(C(=O)O)C(C2=CC=C(O)C(OC)=C2)C1C3=CC=C(O)C(OC)=C3
Tpsa: 133.52
Logp: 2.3976
H Acceptors: 6
H Donors: 4
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:
C₂₀H₂₀O₈
Molecular Weight:
388.37
Synonyms:
None
SMILES:
O=C(O)C1C(C(=O)O)C(C2=CC=C(O)C(OC)=C2)C1C3=CC=C(O)C(OC)=C3
Tpsa:
133.52
Logp:
2.3976
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
6