CS-0532655
2-((2-(4-((4-Fluorobenzyl)carbamoyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl)amino)-2-oxoacetic acid Raltegravir Impurity
Manufacturer: ChemScene
CAS Number: 1064706-98-4
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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
C₁₈H₁₉FN₄O₆
Molecular Weight
406.37
Synonyms
{[2-(4-{[(4-Fluorophenyl)methyl]carbamoyl}-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamoyl}formic acid
SMILES
O=C(C(NC(C)(C)C1=NC(C(NCC2=CC=C(C=C2)F)=O)=C(C(N1C)=O)O)=O)O
Tpsa
150.62
Logp
-0.0091
H Acceptors
7
H Donors
4
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1064706-98-4 | 2-Des(5-methyl-1,3,4-oxadiazole-2-carboxamide) 2-(2-Amino-2-oxoacetic Acid) Raltegravir | 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: C₁₈H₁₉FN₄O₆
Molecular Weight: 406.37
Synonyms: {[2-(4-{[(4-Fluorophenyl)methyl]carbamoyl}-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamoyl}formic acid
SMILES: O=C(C(NC(C)(C)C1=NC(C(NCC2=CC=C(C=C2)F)=O)=C(C(N1C)=O)O)=O)O
Tpsa: 150.62
Logp: -0.0091
H Acceptors: 7
H Donors: 4
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₉FN₄O₆
Molecular Weight:
406.37
Synonyms:
{[2-(4-{[(4-Fluorophenyl)methyl]carbamoyl}-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamoyl}formic acid
SMILES:
O=C(C(NC(C)(C)C1=NC(C(NCC2=CC=C(C=C2)F)=O)=C(C(N1C)=O)O)=O)O
Tpsa:
150.62
Logp:
-0.0091
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₉F₃N₂O₂
Molecular Weight: 270.21
Synonyms: 5-Methyl-N-(2-(trifluoromethyl)phenyl)isoxazole-4-carboxamide
SMILES: O=C(C1=C(C)ON=C1)NC2=C(C(F)(F)F)C=CC=C2
Tpsa: 55.13
Logp: 3.25412
H Acceptors: 3
H Donors: 1
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:
C₁₂H₉F₃N₂O₂
Molecular Weight:
270.21
Synonyms:
5-Methyl-N-(2-(trifluoromethyl)phenyl)isoxazole-4-carboxamide
SMILES:
O=C(C1=C(C)ON=C1)NC2=C(C(F)(F)F)C=CC=C2
Tpsa:
55.13
Logp:
3.25412
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: 4°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₂BrClN₂O
Molecular Weight: 209.43
Synonyms: None
SMILES: O=C1C(Cl)=NC=C(Br)N1
Tpsa: 45.75
Logp: 1.1858
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
4°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₂BrClN₂O
Molecular Weight:
209.43
Synonyms:
None
SMILES:
O=C1C(Cl)=NC=C(Br)N1
Tpsa:
45.75
Logp:
1.1858
H Acceptors:
2
H Donors:
1
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: C₉H₁₀BrClFN
Molecular Weight: 266.54
Synonyms: None
SMILES: FC1=CC=C(C2=C1CCNC2)Br.Cl
Tpsa: 12.03
Logp: 2.6557
H Acceptors: 1
H Donors: 1
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:
C₉H₁₀BrClFN
Molecular Weight:
266.54
Synonyms:
None
SMILES:
FC1=CC=C(C2=C1CCNC2)Br.Cl
Tpsa:
12.03
Logp:
2.6557
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
0