CS-1004550
2-Thiazolidineacetic acid, 4-carboxy-α-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-5,5-dimethyl-, sodium salt 1:2
Manufacturer: ChemScene
CAS Number: 68728-50-7
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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
C₁₉H₁₉ClFN₃NaO₆S
Molecular Weight
494.88
Synonyms
None
SMILES
[Na].O=C(O)C(NC(=O)C=1C(=NOC1C)C=2C(F)=CC=CC2Cl)C3SC(C)(C)C(N3)C(=O)O
Tpsa
141.76
Logp
2.13902
H Acceptors
7
H Donors
4
Rotatable Bonds
6
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: C₁₉H₁₉ClFN₃NaO₆S
Molecular Weight: 494.88
Synonyms: None
SMILES: [Na].O=C(O)C(NC(=O)C=1C(=NOC1C)C=2C(F)=CC=CC2Cl)C3SC(C)(C)C(N3)C(=O)O
Tpsa: 141.76
Logp: 2.13902
H Acceptors: 7
H Donors: 4
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:
C₁₉H₁₉ClFN₃NaO₆S
Molecular Weight:
494.88
Synonyms:
None
SMILES:
[Na].O=C(O)C(NC(=O)C=1C(=NOC1C)C=2C(F)=CC=CC2Cl)C3SC(C)(C)C(N3)C(=O)O
Tpsa:
141.76
Logp:
2.13902
H Acceptors:
7
H Donors:
4
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: C₂₁H₂₁NO₆
Molecular Weight: 383.39
Synonyms: None
SMILES: O(C)C1=C2C=3C([C@@H](NC(C)=O)CCC2=CC4=C1OCO4)=CC(=O)C(OC)=CC3
Tpsa: 83.09
Logp: 2.5831
H Acceptors: 6
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:
C₂₁H₂₁NO₆
Molecular Weight:
383.39
Synonyms:
None
SMILES:
O(C)C1=C2C=3C([C@@H](NC(C)=O)CCC2=CC4=C1OCO4)=CC(=O)C(OC)=CC3
Tpsa:
83.09
Logp:
2.5831
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₀N₂O₄
Molecular Weight: 210.19
Synonyms: None
SMILES: [C@H](NC(N)=O)(C(O)=O)C1=CC=C(O)C=C1
Tpsa: 112.65
Logp: 0.1862
H Acceptors: 3
H Donors: 4
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₀N₂O₄
Molecular Weight:
210.19
Synonyms:
None
SMILES:
[C@H](NC(N)=O)(C(O)=O)C1=CC=C(O)C=C1
Tpsa:
112.65
Logp:
0.1862
H Acceptors:
3
H Donors:
4
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: C₂₂H₂₈N₂O₃
Molecular Weight: 368.47
Synonyms: None
SMILES: C(OCC)(=O)[C@]1(O)N2C=3[C@]4([C@@](CC)(C1)CCCN4CCC3C=5C2=CC=CC5)[H]
Tpsa: 54.7
Logp: 3.3426
H Acceptors: 5
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:
C₂₂H₂₈N₂O₃
Molecular Weight:
368.47
Synonyms:
None
SMILES:
C(OCC)(=O)[C@]1(O)N2C=3[C@]4([C@@](CC)(C1)CCCN4CCC3C=5C2=CC=CC5)[H]
Tpsa:
54.7
Logp:
3.3426
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3