CS-0546224
4-(2-Hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)-1,2-dihydro-3H-pyrazol-3-one
Manufacturer: ChemScene
CAS Number: 866018-40-8
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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
C₁₄H₁₅N₃O₅
Molecular Weight
305.29
Synonyms
None
SMILES
O=C1N(C)N(C(C2=CC=CC([N+]([O-])=O)=C2)=O)C(C)=C1CCO
Tpsa
107.37
Logp
0.62672
H Acceptors
7
H Donors
1
Rotatable Bonds
4
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: C₁₄H₁₅N₃O₅
Molecular Weight: 305.29
Synonyms: None
SMILES: O=C1N(C)N(C(C2=CC=CC([N+]([O-])=O)=C2)=O)C(C)=C1CCO
Tpsa: 107.37
Logp: 0.62672
H Acceptors: 7
H Donors: 1
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:
C₁₄H₁₅N₃O₅
Molecular Weight:
305.29
Synonyms:
None
SMILES:
O=C1N(C)N(C(C2=CC=CC([N+]([O-])=O)=C2)=O)C(C)=C1CCO
Tpsa:
107.37
Logp:
0.62672
H Acceptors:
7
H Donors:
1
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: C₈H₉Cl₃N₂O₂S
Molecular Weight: 303.59
Synonyms: 4(1H)-Pyrimidinone, 5-[(2-hydroxyethyl)thio]-6-methyl-2-(trichloromethyl)-
SMILES: CC1=C(C(=O)NC(=N1)C(Cl)(Cl)Cl)SCCO
Tpsa: 65.98
Logp: 1.98942
H Acceptors: 4
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:
C₈H₉Cl₃N₂O₂S
Molecular Weight:
303.59
Synonyms:
4(1H)-Pyrimidinone, 5-[(2-hydroxyethyl)thio]-6-methyl-2-(trichloromethyl)-
SMILES:
CC1=C(C(=O)NC(=N1)C(Cl)(Cl)Cl)SCCO
Tpsa:
65.98
Logp:
1.98942
H Acceptors:
4
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: C₁₂H₁₄O₅
Molecular Weight: 238.24
Synonyms: None
SMILES: O=C1C2=C(C(CO)=C(C=C2C(CC1)O)OC)O
Tpsa: 86.99
Logp: 0.903
H Acceptors: 5
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:
C₁₂H₁₄O₅
Molecular Weight:
238.24
Synonyms:
None
SMILES:
O=C1C2=C(C(CO)=C(C=C2C(CC1)O)OC)O
Tpsa:
86.99
Logp:
0.903
H Acceptors:
5
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: C₂₀H₂₁ClN₂O
Molecular Weight: 340.85
Synonyms: N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-1-(4-methoxyphenyl)methanamine
SMILES: CC1=CC(=C2C=C(C(=NC2=C1)Cl)CNCC3=CC=C(C=C3)OC)C
Tpsa: 34.15
Logp: 4.80344
H Acceptors: 3
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:
C₂₀H₂₁ClN₂O
Molecular Weight:
340.85
Synonyms:
N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-1-(4-methoxyphenyl)methanamine
SMILES:
CC1=CC(=C2C=C(C(=NC2=C1)Cl)CNCC3=CC=C(C=C3)OC)C
Tpsa:
34.15
Logp:
4.80344
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
5