CS-1005292
Indobufen Impurity 54
Manufacturer: ChemScene
CAS Number: 91642-00-1
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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
C₁₂H₁₅NO₄
Molecular Weight
237.25
Synonyms
None
SMILES
O=C(O)C(C1=CC=C(C=C1)N(=O)=O)(CC)CC
Tpsa
80.44
Logp
2.7372
H Acceptors
3
H Donors
1
Rotatable Bonds
5
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: C₁₂H₁₅NO₄
Molecular Weight: 237.25
Synonyms: None
SMILES: O=C(O)C(C1=CC=C(C=C1)N(=O)=O)(CC)CC
Tpsa: 80.44
Logp: 2.7372
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:
C₁₂H₁₅NO₄
Molecular Weight:
237.25
Synonyms:
None
SMILES:
O=C(O)C(C1=CC=C(C=C1)N(=O)=O)(CC)CC
Tpsa:
80.44
Logp:
2.7372
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₃₀N₂O₆
Molecular Weight: 490.55
Synonyms: None
SMILES: N(CC1=CC(O[C@H](C(O)=O)CC)=CC=C1)(CCCOC2=CC=C(OC)C=C2)C3=NC=4C(O3)=CC=CC4
Tpsa: 94.26
Logp: 5.5541
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₃₀N₂O₆
Molecular Weight:
490.55
Synonyms:
None
SMILES:
N(CC1=CC(O[C@H](C(O)=O)CC)=CC=C1)(CCCOC2=CC=C(OC)C=C2)C3=NC=4C(O3)=CC=CC4
Tpsa:
94.26
Logp:
5.5541
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₃NO₄S₂
Molecular Weight: 309.45
Synonyms: None
SMILES: O=C(NC(CO)(CO)CO)CCCCC1SSCC1
Tpsa: 89.79
Logp: 0.5324
H Acceptors: 6
H Donors: 4
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₃NO₄S₂
Molecular Weight:
309.45
Synonyms:
None
SMILES:
O=C(NC(CO)(CO)CO)CCCCC1SSCC1
Tpsa:
89.79
Logp:
0.5324
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₅NO₇
Molecular Weight: 295.33
Synonyms: None
SMILES: [C@H](NC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)(CC(C)C)C(O)=O
Tpsa: 150.48
Logp: -2.4888
H Acceptors: 7
H Donors: 7
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₅NO₇
Molecular Weight:
295.33
Synonyms:
None
SMILES:
[C@H](NC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)(CC(C)C)C(O)=O
Tpsa:
150.48
Logp:
-2.4888
H Acceptors:
7
H Donors:
7
Rotatable Bonds:
10