CS-1002787
Dolutegravir Impurity 64
Manufacturer: ChemScene
CAS Number: 2227442-13-7
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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
C₂₁H₂₁F₂N₃O₅
Molecular Weight
433.41
Synonyms
None
SMILES
O(C)C1=C2N(C=C(C(NCC3=C(F)C=C(F)C=C3)=O)C1=O)C=CN([C@@H](CCO)C)C2=O
Tpsa
102.04
Logp
1.6214
H Acceptors
7
H Donors
2
Rotatable Bonds
7
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: C₂₁H₂₁F₂N₃O₅
Molecular Weight: 433.41
Synonyms: None
SMILES: O(C)C1=C2N(C=C(C(NCC3=C(F)C=C(F)C=C3)=O)C1=O)C=CN([C@@H](CCO)C)C2=O
Tpsa: 102.04
Logp: 1.6214
H Acceptors: 7
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:
C₂₁H₂₁F₂N₃O₅
Molecular Weight:
433.41
Synonyms:
None
SMILES:
O(C)C1=C2N(C=C(C(NCC3=C(F)C=C(F)C=C3)=O)C1=O)C=CN([C@@H](CCO)C)C2=O
Tpsa:
102.04
Logp:
1.6214
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
7
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₉ClFN
Molecular Weight: 185.63
Synonyms: None
SMILES: N[C@H]1[C@@H](C1)C2=CC(Cl)=C(F)C=C2
Tpsa: 26.02
Logp: 2.2937
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₉ClFN
Molecular Weight:
185.63
Synonyms:
None
SMILES:
N[C@H]1[C@@H](C1)C2=CC(Cl)=C(F)C=C2
Tpsa:
26.02
Logp:
2.2937
H Acceptors:
1
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: C₈H₉ClO₃
Molecular Weight: 188.61
Synonyms: None
SMILES: ClCC(O)C=1C=CC=C(O)C1O
Tpsa: 60.69
Logp: 1.37
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₉ClO₃
Molecular Weight:
188.61
Synonyms:
None
SMILES:
ClCC(O)C=1C=CC=C(O)C1O
Tpsa:
60.69
Logp:
1.37
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₉N₃
Molecular Weight: 253.34
Synonyms: None
SMILES: N=1C=CC=CC1N2CCN(C)CC2C=3C=CC=CC3
Tpsa: 19.37
Logp: 2.5747
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₉N₃
Molecular Weight:
253.34
Synonyms:
None
SMILES:
N=1C=CC=CC1N2CCN(C)CC2C=3C=CC=CC3
Tpsa:
19.37
Logp:
2.5747
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2