CS-0536336
4-(4-Chlorophenyl)-5-methyl-3-phenylisoxazole
Manufacturer: ChemScene
CAS Number: 1448355-87-0
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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
C₁₆H₁₂ClNO
Molecular Weight
269.73
Synonyms
Parecoxib Sodium-29
SMILES
CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl
Tpsa
26.03
Logp
4.97042
H Acceptors
2
H Donors
0
Rotatable Bonds
2
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: C₁₆H₁₂ClNO
Molecular Weight: 269.73
Synonyms: Parecoxib Sodium-29
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl
Tpsa: 26.03
Logp: 4.97042
H Acceptors: 2
H Donors: 0
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:
C₁₆H₁₂ClNO
Molecular Weight:
269.73
Synonyms:
Parecoxib Sodium-29
SMILES:
CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl
Tpsa:
26.03
Logp:
4.97042
H Acceptors:
2
H Donors:
0
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: C₂₈H₃₆N₄O₂S
Molecular Weight: 492.68
Synonyms: (3aR,4S,7R,7aS)-2-[[(1R,2R)-2-[[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione
SMILES: O=C1N(C[C@@H]2[C@@H](CN3CCN(C4=NSC5=CC=CC=C45)CC3)CCCC2)C([C@]6([H])[C@@](C7)([H])CC[C@@]7([H])[C@]16[H])=O
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₃₆N₄O₂S
Molecular Weight:
492.68
Synonyms:
(3aR,4S,7R,7aS)-2-[[(1R,2R)-2-[[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione
SMILES:
O=C1N(C[C@@H]2[C@@H](CN3CCN(C4=NSC5=CC=CC=C45)CC3)CCCC2)C([C@]6([H])[C@@](C7)([H])CC[C@@]7([H])[C@]16[H])=O
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 97%
MDL No: MFCD29906910
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₈N₂O₂
Molecular Weight: 234.29
Synonyms: trans-2-Amino-N-(4-hydroxycyclohexyl)benzamide
SMILES: C1CC(CCC1NC(=O)C2=CC=CC=C2N)O
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
97%
MDL No:
MFCD29906910
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₈N₂O₂
Molecular Weight:
234.29
Synonyms:
trans-2-Amino-N-(4-hydroxycyclohexyl)benzamide
SMILES:
C1CC(CCC1NC(=O)C2=CC=CC=C2N)O
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₂FN₃O₃
Molecular Weight: 313.28
Synonyms: Torezolid-22
SMILES: C1[C@@H](OC(=O)N1C2=CC(=C(C=C2)C3=CN=C(C=C3)C#N)F)CO
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₂FN₃O₃
Molecular Weight:
313.28
Synonyms:
Torezolid-22
SMILES:
C1[C@@H](OC(=O)N1C2=CC(=C(C=C2)C3=CN=C(C=C3)C#N)F)CO
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A