CS-1002938
Parecoxib Sodium Impurity 63
Manufacturer: ChemScene
CAS Number: 2304623-42-3
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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
C₁₆H₁₂ClNO₃S
Molecular Weight
333.79
Synonyms
None
SMILES
O=S(=O)(Cl)C=1C=CC=CC1C2=NOC(=C2C=3C=CC=CC3)C
Tpsa
60.17
Logp
4.24452
H Acceptors
4
H Donors
0
Rotatable Bonds
3
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: C₁₆H₁₂ClNO₃S
Molecular Weight: 333.79
Synonyms: None
SMILES: O=S(=O)(Cl)C=1C=CC=CC1C2=NOC(=C2C=3C=CC=CC3)C
Tpsa: 60.17
Logp: 4.24452
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:
C₁₆H₁₂ClNO₃S
Molecular Weight:
333.79
Synonyms:
None
SMILES:
O=S(=O)(Cl)C=1C=CC=CC1C2=NOC(=C2C=3C=CC=CC3)C
Tpsa:
60.17
Logp:
4.24452
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: C₂₄H₃₂O₆
Molecular Weight: 416.51
Synonyms: None
SMILES: C(OC)(=O)[C@@H]1[C@]2([C@]3([C@@](C)([C@@]4(CC3)CCC(=O)O4)C[C@@H](O)[C@@]2([C@]5(C)C(C1)=CC(=O)CC5)[H])[H])[H]
Tpsa: 89.9
Logp: 2.964
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₃₂O₆
Molecular Weight:
416.51
Synonyms:
None
SMILES:
C(OC)(=O)[C@@H]1[C@]2([C@]3([C@@](C)([C@@]4(CC3)CCC(=O)O4)C[C@@H](O)[C@@]2([C@]5(C)C(C1)=CC(=O)CC5)[H])[H])[H]
Tpsa:
89.9
Logp:
2.964
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₃₆O₅
Molecular Weight: 404.54
Synonyms: None
SMILES: O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(O)=O)C)(CC3)[H])C(=O)C[C@@]2([C@]4(C)[C@](C1)(CC(=O)CC4)[H])[H])[H])[H]
Tpsa: 91.67
Logp: 3.8651
H Acceptors: 4
H Donors: 2
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:
C₂₄H₃₆O₅
Molecular Weight:
404.54
Synonyms:
None
SMILES:
O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(O)=O)C)(CC3)[H])C(=O)C[C@@]2([C@]4(C)[C@](C1)(CC(=O)CC4)[H])[H])[H])[H]
Tpsa:
91.67
Logp:
3.8651
H Acceptors:
4
H Donors:
2
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: C₂₄H₃₆O₅
Molecular Weight: 404.54
Synonyms: None
SMILES: O=C1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(O)=O)C)(CC3)[H])[C@@H](O)C[C@@]2([C@]4(C)[C@](C1)(CC(=O)CC4)[H])[H])[H])[H]
Tpsa: 91.67
Logp: 3.8651
H Acceptors: 4
H Donors: 2
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:
C₂₄H₃₆O₅
Molecular Weight:
404.54
Synonyms:
None
SMILES:
O=C1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(O)=O)C)(CC3)[H])[C@@H](O)C[C@@]2([C@]4(C)[C@](C1)(CC(=O)CC4)[H])[H])[H])[H]
Tpsa:
91.67
Logp:
3.8651
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
4