CS-1013889
Raltegravir Impurity SA25617
Manufacturer: ChemScene
CAS Number: 1172131-64-4
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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
C₂₁H₂₇FN₄O₄
Molecular Weight
418.46
Synonyms
None
SMILES
O=C(NCC1=CC=C(F)C=C1)C=2N=C(N(C(=O)C2OC(=O)C(C)(C)C)C)C(N)(C)C
Tpsa
116.31
Logp
1.9947
H Acceptors
7
H Donors
2
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1172131-64-4 | Propanoic acid, 2,2-dimethyl-, 2-(1-amino-1-methylethyl)-4-[[[(4-fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-1-methyl-6-oxo-5-pyrimidinyl ester | 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: C₂₁H₂₇FN₄O₄
Molecular Weight: 418.46
Synonyms: None
SMILES: O=C(NCC1=CC=C(F)C=C1)C=2N=C(N(C(=O)C2OC(=O)C(C)(C)C)C)C(N)(C)C
Tpsa: 116.31
Logp: 1.9947
H Acceptors: 7
H Donors: 2
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:
C₂₁H₂₇FN₄O₄
Molecular Weight:
418.46
Synonyms:
None
SMILES:
O=C(NCC1=CC=C(F)C=C1)C=2N=C(N(C(=O)C2OC(=O)C(C)(C)C)C)C(N)(C)C
Tpsa:
116.31
Logp:
1.9947
H Acceptors:
7
H Donors:
2
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: C₂₃H₃₀N₂O₅
Molecular Weight: 414.49
Synonyms: None
SMILES: O[C@@]12N([C@@]3([C@](C1)(CCC3)[H])[H])C(=O)[C@H](C)N([C@H](C(OCC)=O)CCC4=CC=CC=C4)C2=O
Tpsa: 87.15
Logp: 1.8712
H Acceptors: 5
H Donors: 1
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:
C₂₃H₃₀N₂O₅
Molecular Weight:
414.49
Synonyms:
None
SMILES:
O[C@@]12N([C@@]3([C@](C1)(CCC3)[H])[H])C(=O)[C@H](C)N([C@H](C(OCC)=O)CCC4=CC=CC=C4)C2=O
Tpsa:
87.15
Logp:
1.8712
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
6
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀N₂
Molecular Weight: 158.20
Synonyms: None
SMILES: C(=C/C#N)\C1=CC(C)=C(N)C=C1
Tpsa: 49.81
Logp: 2.114
H Acceptors: 2
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:
C₁₀H₁₀N₂
Molecular Weight:
158.20
Synonyms:
None
SMILES:
C(=C/C#N)\C1=CC(C)=C(N)C=C1
Tpsa:
49.81
Logp:
2.114
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₈Cl₂N₂O₃
Molecular Weight: 299.11
Synonyms: None
SMILES: O=C(NC=1C(Cl)=CN=CC1Cl)C2=CC=C(O)C(O)=C2
Tpsa: 82.45
Logp: 3.0519
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₈Cl₂N₂O₃
Molecular Weight:
299.11
Synonyms:
None
SMILES:
O=C(NC=1C(Cl)=CN=CC1Cl)C2=CC=C(O)C(O)=C2
Tpsa:
82.45
Logp:
3.0519
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
2