CS-0914588
Bictegravir Impurity 2
Manufacturer: ChemScene
CAS Number: 1616339-90-2
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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
C₂₁H₂₀FN₃O₅
Molecular Weight
413.40
Synonyms
None
SMILES
O=C1N2C(CN3C1=C(O)C(=O)C(C(NCC4=C(F)C=CC=C4)=O)=C3)(O[C@@]5(C[C@]2(CC5)[H])[H])[H]
Tpsa
100.87
Logp
1.3562
H Acceptors
6
H Donors
2
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1616339-90-2 | | 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: C₂₁H₂₀FN₃O₅
Molecular Weight: 413.40
Synonyms: None
SMILES: O=C1N2C(CN3C1=C(O)C(=O)C(C(NCC4=C(F)C=CC=C4)=O)=C3)(O[C@@]5(C[C@]2(CC5)[H])[H])[H]
Tpsa: 100.87
Logp: 1.3562
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:
C₂₁H₂₀FN₃O₅
Molecular Weight:
413.40
Synonyms:
None
SMILES:
O=C1N2C(CN3C1=C(O)C(=O)C(C(NCC4=C(F)C=CC=C4)=O)=C3)(O[C@@]5(C[C@]2(CC5)[H])[H])[H]
Tpsa:
100.87
Logp:
1.3562
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: C₁₇H₂₁NO₂
Molecular Weight: 271.35
Synonyms: None
SMILES: OCCN(CC1=CC=CC(=C1)C=2C=CC=CC2)CCO
Tpsa: 43.7
Logp: 2.1402
H Acceptors: 3
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:
C₁₇H₂₁NO₂
Molecular Weight:
271.35
Synonyms:
None
SMILES:
OCCN(CC1=CC=CC(=C1)C=2C=CC=CC2)CCO
Tpsa:
43.7
Logp:
2.1402
H Acceptors:
3
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: C₂₄H₂₈N₂O₄S
Molecular Weight: 440.56
Synonyms: None
SMILES: C(N1[C@]2([C@@](N(CC3=CC=CC=C3)C1=O)(CSC2(CCCCC(O)=O)O)[H])[H])C4=CC=CC=C4
Tpsa: 81.08
Logp: 3.942
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₂₈N₂O₄S
Molecular Weight:
440.56
Synonyms:
None
SMILES:
C(N1[C@]2([C@@](N(CC3=CC=CC=C3)C1=O)(CSC2(CCCCC(O)=O)O)[H])[H])C4=CC=CC=C4
Tpsa:
81.08
Logp:
3.942
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₈N₂O₂S
Molecular Weight: 338.42
Synonyms: None
SMILES: C(N1[C@@]2([C@](N(CC3=CC=CC=C3)C1=O)(CSC2=O)[H])[H])C4=CC=CC=C4
Tpsa: 40.62
Logp: 3.135
H Acceptors: 3
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:
C₁₉H₁₈N₂O₂S
Molecular Weight:
338.42
Synonyms:
None
SMILES:
C(N1[C@@]2([C@](N(CC3=CC=CC=C3)C1=O)(CSC2=O)[H])[H])C4=CC=CC=C4
Tpsa:
40.62
Logp:
3.135
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
4