CS-0546065
5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-4-(2-(4-methoxyphenyl)-2-oxoethoxy)furan-2(5H)-one
Manufacturer: ChemScene
CAS Number: 866042-74-2
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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
C₁₈H₂₀O₈
Molecular Weight
364.35
Synonyms
Hex-2-enonic acid, 3-O-[2-(4-methoxyphenyl)-2-oxoethyl]-5,6-O-(1-methylethylidene)-, γ-lactone
SMILES
CC1(OCC(O1)C2C(=C(C(=O)O2)O)OCC(=O)C3=CC=C(C=C3)OC)C
Tpsa
100.52
Logp
1.741
H Acceptors
8
H Donors
1
Rotatable Bonds
6
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: C₁₈H₂₀O₈
Molecular Weight: 364.35
Synonyms: Hex-2-enonic acid, 3-O-[2-(4-methoxyphenyl)-2-oxoethyl]-5,6-O-(1-methylethylidene)-, γ-lactone
SMILES: CC1(OCC(O1)C2C(=C(C(=O)O2)O)OCC(=O)C3=CC=C(C=C3)OC)C
Tpsa: 100.52
Logp: 1.741
H Acceptors: 8
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:
C₁₈H₂₀O₈
Molecular Weight:
364.35
Synonyms:
Hex-2-enonic acid, 3-O-[2-(4-methoxyphenyl)-2-oxoethyl]-5,6-O-(1-methylethylidene)-, γ-lactone
SMILES:
CC1(OCC(O1)C2C(=C(C(=O)O2)O)OCC(=O)C3=CC=C(C=C3)OC)C
Tpsa:
100.52
Logp:
1.741
H Acceptors:
8
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: C₁₂H₁₃N₃O₆S
Molecular Weight: 327.31
Synonyms: 4-(2-HYDROXYETHYL)-5-METHYL-1-[(2-NITROPHENYL)SULFONYL]-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
SMILES: CC1=C(C(=O)NN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CCO
Tpsa: 135.3
Logp: 0.16482
H Acceptors: 7
H Donors: 2
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:
C₁₂H₁₃N₃O₆S
Molecular Weight:
327.31
Synonyms:
4-(2-HYDROXYETHYL)-5-METHYL-1-[(2-NITROPHENYL)SULFONYL]-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
SMILES:
CC1=C(C(=O)NN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CCO
Tpsa:
135.3
Logp:
0.16482
H Acceptors:
7
H Donors:
2
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: C₁₄H₁₆ClF₃N₄O₂
Molecular Weight: 364.75
Synonyms: 1-ACETYL-N'-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-4-PIPERIDINECARBOHYDRAZIDE
SMILES: CC(=O)N1CCC(CC1)C(=O)NNC2=C(C=C(C=N2)C(F)(F)F)Cl
Tpsa: 74.33
Logp: 2.4554
H Acceptors: 4
H Donors: 2
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:
C₁₄H₁₆ClF₃N₄O₂
Molecular Weight:
364.75
Synonyms:
1-ACETYL-N'-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-4-PIPERIDINECARBOHYDRAZIDE
SMILES:
CC(=O)N1CCC(CC1)C(=O)NNC2=C(C=C(C=N2)C(F)(F)F)Cl
Tpsa:
74.33
Logp:
2.4554
H Acceptors:
4
H Donors:
2
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: C₁₆H₁₄BrClFN₃O₂
Molecular Weight: 414.66
Synonyms: 4-(4-Bromo-2-fluoroanilino)-6,7-dimethoxyquinazoline hydrochloride
SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)OC.Cl
Tpsa: 56.27
Logp: 4.714
H Acceptors: 5
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:
C₁₆H₁₄BrClFN₃O₂
Molecular Weight:
414.66
Synonyms:
4-(4-Bromo-2-fluoroanilino)-6,7-dimethoxyquinazoline hydrochloride
SMILES:
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)OC.Cl
Tpsa:
56.27
Logp:
4.714
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4