CS-0546061
(5S)-5-(3-(4-methoxyphenyl)-5-methyl-4,5-dihydroisoxazol-5-yl)-2-methylcyclohex-2-en-1-one
Manufacturer: ChemScene
CAS Number: 1013764-35-6
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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
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
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1013764-35-6 | (S)-5-[3-(4-Methoxy-phenyl)-5-methyl-4,5-dihydro-isoxazol-5-yl]-2-methyl-cyclohex-2-enone | A2B Chem | -- |
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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: 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
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₆ClNO₂S
Molecular Weight: 309.81
Synonyms: 2-{[(4-chlorophenyl)amino](sulfanyl)methylidene}-5,5-dimethylcyclohexane-1,3-dione
SMILES: CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=C(C=C2)Cl)O)C
Tpsa: 49.33
Logp: 4.2805
H Acceptors: 3
H Donors: 2
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:
C₁₅H₁₆ClNO₂S
Molecular Weight:
309.81
Synonyms:
2-{[(4-chlorophenyl)amino](sulfanyl)methylidene}-5,5-dimethylcyclohexane-1,3-dione
SMILES:
CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=C(C=C2)Cl)O)C
Tpsa:
49.33
Logp:
4.2805
H Acceptors:
3
H Donors:
2
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: C₁₈H₂₀O₈
Molecular Weight: 364.35
Synonyms: Hex-2-enonic acid, 3-O-[2-(4-methoxyphenyl)-2-oxoethyl]-5,6-O-(1-methylethylidene)-, γ-lactone
SMILES: CC1(OCC(O1)C2C(=C(C(=O)O2)O)OCC(=O)C3=CC=C(C=C3)OC)C
Tpsa: 100.52
Logp: 1.741
H Acceptors: 8
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:
C₁₈H₂₀O₈
Molecular Weight:
364.35
Synonyms:
Hex-2-enonic acid, 3-O-[2-(4-methoxyphenyl)-2-oxoethyl]-5,6-O-(1-methylethylidene)-, γ-lactone
SMILES:
CC1(OCC(O1)C2C(=C(C(=O)O2)O)OCC(=O)C3=CC=C(C=C3)OC)C
Tpsa:
100.52
Logp:
1.741
H Acceptors:
8
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: C₁₂H₁₃N₃O₆S
Molecular Weight: 327.31
Synonyms: 4-(2-HYDROXYETHYL)-5-METHYL-1-[(2-NITROPHENYL)SULFONYL]-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
SMILES: CC1=C(C(=O)NN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CCO
Tpsa: 135.3
Logp: 0.16482
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:
C₁₂H₁₃N₃O₆S
Molecular Weight:
327.31
Synonyms:
4-(2-HYDROXYETHYL)-5-METHYL-1-[(2-NITROPHENYL)SULFONYL]-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
SMILES:
CC1=C(C(=O)NN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CCO
Tpsa:
135.3
Logp:
0.16482
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
5