CS-1004704
Trepibutone Impurity 1
Manufacturer: ChemScene
CAS Number: 7461-76-9
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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
C₂₄H₂₂O₁₂
Molecular Weight
502.42
Synonyms
None
SMILES
O=C(OC=1C=C(OC(=O)C)C(=CC1OC(=O)C)C=2C=C(OC(=O)C)C(OC(=O)C)=CC2OC(=O)C)C
Tpsa
157.8
Logp
2.9054
H Acceptors
12
H Donors
0
Rotatable Bonds
7
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: C₂₄H₂₂O₁₂
Molecular Weight: 502.42
Synonyms: None
SMILES: O=C(OC=1C=C(OC(=O)C)C(=CC1OC(=O)C)C=2C=C(OC(=O)C)C(OC(=O)C)=CC2OC(=O)C)C
Tpsa: 157.8
Logp: 2.9054
H Acceptors: 12
H Donors: 0
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₂₂O₁₂
Molecular Weight:
502.42
Synonyms:
None
SMILES:
O=C(OC=1C=C(OC(=O)C)C(=CC1OC(=O)C)C=2C=C(OC(=O)C)C(OC(=O)C)=CC2OC(=O)C)C
Tpsa:
157.8
Logp:
2.9054
H Acceptors:
12
H Donors:
0
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₁₈FN₃O₃
Molecular Weight: 439.44
Synonyms: None
SMILES: O=CC=1OC(=CC1)C=2C=CC3=NC=NC(NC4=CC=C(OCC=5C=CC=C(F)C5)C=C4)=C3C2
Tpsa: 77.25
Logp: 6.164
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₁₈FN₃O₃
Molecular Weight:
439.44
Synonyms:
None
SMILES:
O=CC=1OC(=CC1)C=2C=CC3=NC=NC(NC4=CC=C(OCC=5C=CC=C(F)C5)C=C4)=C3C2
Tpsa:
77.25
Logp:
6.164
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
7
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₁NO
Molecular Weight: 255.35
Synonyms: None
SMILES: OC(C=1C=CC=CC1)CCN(C)CC=2C=CC=CC2
Tpsa: 23.47
Logp: 3.2421
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 6
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₁NO
Molecular Weight:
255.35
Synonyms:
None
SMILES:
OC(C=1C=CC=CC1)CCN(C)CC=2C=CC=CC2
Tpsa:
23.47
Logp:
3.2421
H Acceptors:
2
H Donors:
1
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: C₂₁H₁₆N₄O₁₀S₃
Molecular Weight: 580.57
Synonyms: None
SMILES: O=C1C(=NNC2=CC=C(C=C2)S(=O)(=O)O)C(=NN1C3=CC=C(C=C3)S(=O)(=O)O)C=4C=CC(=CC4)S(=O)(=O)O
Tpsa: 220.17
Logp: 1.6457
H Acceptors: 10
H Donors: 4
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₁₆N₄O₁₀S₃
Molecular Weight:
580.57
Synonyms:
None
SMILES:
O=C1C(=NNC2=CC=C(C=C2)S(=O)(=O)O)C(=NN1C3=CC=C(C=C3)S(=O)(=O)O)C=4C=CC(=CC4)S(=O)(=O)O
Tpsa:
220.17
Logp:
1.6457
H Acceptors:
10
H Donors:
4
Rotatable Bonds:
7