CS-0546045
4-(2-Hydroxyethyl)-2,5-dimethyl-1-((2-nitrophenyl)sulfonyl)-1,2-dihydro-3H-pyrazol-3-one
Manufacturer: ChemScene
CAS Number: 866039-86-3
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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
C₁₃H₁₅N₃O₆S
Molecular Weight
341.34
Synonyms
4-(2-HYDROXYETHYL)-2,5-DIMETHYL-1-[(2-NITROPHENYL)SULFONYL]-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
SMILES
CC1=C(C(=O)N(N1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C)CCO
Tpsa
124.44
Logp
0.17522
H Acceptors
8
H Donors
1
Rotatable Bonds
5
SAFETY INFORMATION
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: C₁₃H₁₅N₃O₆S
Molecular Weight: 341.34
Synonyms: 4-(2-HYDROXYETHYL)-2,5-DIMETHYL-1-[(2-NITROPHENYL)SULFONYL]-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
SMILES: CC1=C(C(=O)N(N1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C)CCO
Tpsa: 124.44
Logp: 0.17522
H Acceptors: 8
H Donors: 1
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:
C₁₃H₁₅N₃O₆S
Molecular Weight:
341.34
Synonyms:
4-(2-HYDROXYETHYL)-2,5-DIMETHYL-1-[(2-NITROPHENYL)SULFONYL]-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
SMILES:
CC1=C(C(=O)N(N1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C)CCO
Tpsa:
124.44
Logp:
0.17522
H Acceptors:
8
H Donors:
1
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: C₁₃H₉ClF₄N₂OS
Molecular Weight: 352.73
Synonyms: 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-methyl-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
SMILES: CN1C(=O)C=C(N=C1SCC2=C(C=CC=C2Cl)F)C(F)(F)F
Tpsa: 34.89
Logp: 3.8839
H Acceptors: 4
H Donors: 0
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:
C₁₃H₉ClF₄N₂OS
Molecular Weight:
352.73
Synonyms:
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-methyl-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
SMILES:
CN1C(=O)C=C(N=C1SCC2=C(C=CC=C2Cl)F)C(F)(F)F
Tpsa:
34.89
Logp:
3.8839
H Acceptors:
4
H Donors:
0
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: C₁₄H₁₁Cl₃N₂O₂
Molecular Weight: 345.61
Synonyms: 5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide
SMILES: O=C(C(C=C1Cl)=CN(CC2=CC=C(Cl)C(Cl)=C2)C1=O)NC
Tpsa: 51.1
Logp: 3.2164
H Acceptors: 3
H Donors: 1
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:
C₁₄H₁₁Cl₃N₂O₂
Molecular Weight:
345.61
Synonyms:
5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide
SMILES:
O=C(C(C=C1Cl)=CN(CC2=CC=C(Cl)C(Cl)=C2)C1=O)NC
Tpsa:
51.1
Logp:
3.2164
H Acceptors:
3
H Donors:
1
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: C₁₈H₂₁NO₃
Molecular Weight: 299.36
Synonyms: (S)-5-[3-(4-Methoxy-phenyl)-5-methyl-4,5-dihydro-isoxazol-5-yl]-2-methyl-cyclohex-2-enone
SMILES: CC1=CC[C@@H](CC1=O)C2(CC(=NO2)C3=CC=C(C=C3)OC)C
Tpsa: 47.89
Logp: 3.5037
H Acceptors: 4
H Donors: 0
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:
C₁₈H₂₁NO₃
Molecular Weight:
299.36
Synonyms:
(S)-5-[3-(4-Methoxy-phenyl)-5-methyl-4,5-dihydro-isoxazol-5-yl]-2-methyl-cyclohex-2-enone
SMILES:
CC1=CC[C@@H](CC1=O)C2(CC(=NO2)C3=CC=C(C=C3)OC)C
Tpsa:
47.89
Logp:
3.5037
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3