CS-0311297
2-(1-(4-Ethoxy-4-oxobutyl)-7-hydroxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline-6-carbonyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 2031170-84-8
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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
C₂₆H₃₁NO₆
Molecular Weight
453.53
Synonyms
None
SMILES
O=C(C1=C(C(C2=C(O)C=C(N(C(C)(CC3C)C)CCCC(OCC)=O)C3=C2)=O)C=CC=C1)O
Tpsa
104.14
Logp
4.7569
H Acceptors
6
H Donors
2
Rotatable Bonds
8
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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: C₂₆H₃₁NO₆
Molecular Weight: 453.53
Synonyms: None
SMILES: O=C(C1=C(C(C2=C(O)C=C(N(C(C)(CC3C)C)CCCC(OCC)=O)C3=C2)=O)C=CC=C1)O
Tpsa: 104.14
Logp: 4.7569
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₃₁NO₆
Molecular Weight:
453.53
Synonyms:
None
SMILES:
O=C(C1=C(C(C2=C(O)C=C(N(C(C)(CC3C)C)CCCC(OCC)=O)C3=C2)=O)C=CC=C1)O
Tpsa:
104.14
Logp:
4.7569
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₃ClF₅NO
Molecular Weight: 247.55
Synonyms: None
SMILES: FC(C1=CN=C(Cl)C(OC(F)F)=C1)(F)F
Tpsa: 22.12
Logp: 3.3552
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₃ClF₅NO
Molecular Weight:
247.55
Synonyms:
None
SMILES:
FC(C1=CN=C(Cl)C(OC(F)F)=C1)(F)F
Tpsa:
22.12
Logp:
3.3552
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₃ClF₂N₂O
Molecular Weight: 204.56
Synonyms: None
SMILES: N#CC1=CC(OC(F)F)=C(Cl)N=C1
Tpsa: 45.91
Logp: 2.20808
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₃ClF₂N₂O
Molecular Weight:
204.56
Synonyms:
None
SMILES:
N#CC1=CC(OC(F)F)=C(Cl)N=C1
Tpsa:
45.91
Logp:
2.20808
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₃ClF₂INO
Molecular Weight: 305.45
Synonyms: None
SMILES: IC1=CN=C(Cl)C(OC(F)F)=C1
Tpsa: 22.12
Logp: 2.941
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₃ClF₂INO
Molecular Weight:
305.45
Synonyms:
None
SMILES:
IC1=CN=C(Cl)C(OC(F)F)=C1
Tpsa:
22.12
Logp:
2.941
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2