CS-0112399
Methyl 2-(2-((3,5-dimethylisoxazol-4-yl)(hydroxy)methyl)benzofuran-5-yl)acetate
Manufacturer: ChemScene
CAS Number: 1421949-05-4
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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
C₁₇H₁₇NO₅
Molecular Weight
315.32
Synonyms
None
SMILES
O=C(OC)CC1=CC=C(OC(C(C2=C(C)ON=C2C)O)=C3)C3=C1
Tpsa
85.7
Logp
2.83484
H Acceptors
6
H Donors
1
Rotatable Bonds
4
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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: C₁₇H₁₇NO₅
Molecular Weight: 315.32
Synonyms: None
SMILES: O=C(OC)CC1=CC=C(OC(C(C2=C(C)ON=C2C)O)=C3)C3=C1
Tpsa: 85.7
Logp: 2.83484
H Acceptors: 6
H Donors: 1
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:
C₁₇H₁₇NO₅
Molecular Weight:
315.32
Synonyms:
None
SMILES:
O=C(OC)CC1=CC=C(OC(C(C2=C(C)ON=C2C)O)=C3)C3=C1
Tpsa:
85.7
Logp:
2.83484
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD13189533
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₇NO₂
Molecular Weight: 161.16
Synonyms: 5-Cyano-2-methyl-benzoic acid
SMILES: O=C(O)C1=C(C)C=CC(C#N)=C1
Tpsa: 61.09
Logp: 1.5649
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD13189533
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₇NO₂
Molecular Weight:
161.16
Synonyms:
5-Cyano-2-methyl-benzoic acid
SMILES:
O=C(O)C1=C(C)C=CC(C#N)=C1
Tpsa:
61.09
Logp:
1.5649
H Acceptors:
2
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: C₈H₁₇NO₂
Molecular Weight: 159.23
Synonyms: None
SMILES: CCC(CC)(N)C(OCC)=O
Tpsa: 52.32
Logp: 1.067
H Acceptors: 3
H Donors: 1
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:
C₈H₁₇NO₂
Molecular Weight:
159.23
Synonyms:
None
SMILES:
CCC(CC)(N)C(OCC)=O
Tpsa:
52.32
Logp:
1.067
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: -20°C, protect from light, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₄₉NO₆S
Molecular Weight: 527.76
Synonyms: None
SMILES: C[C@H](CCC(NCCS(=O)(O)=O)=O)[C@H]1CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
Tpsa: 123.93
Logp: 4.0334
H Acceptors: 5
H Donors: 4
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
-20°C, protect from light, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₄₉NO₆S
Molecular Weight:
527.76
Synonyms:
None
SMILES:
C[C@H](CCC(NCCS(=O)(O)=O)=O)[C@H]1CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
Tpsa:
123.93
Logp:
4.0334
H Acceptors:
5
H Donors:
4
Rotatable Bonds:
8