CS-0111015
5,5'-((2,2-Bis((3,5-dicarboxyphenoxy)methyl)propane-1,3-diyl)bis(oxy))diisophthalic acid
Manufacturer: ChemScene
CAS Number: 1315269-33-0
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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
C₃₇H₂₈O₂₀
Molecular Weight
792.61
Synonyms
tetrakis[(3,?5-?dicairboxyphenoxy)?methyl]?methane
SMILES
O=C(O)C1=CC(C(O)=O)=CC(OCC(COC2=CC(C(O)=O)=CC(C(O)=O)=C2)(COC3=CC(C(O)=O)=CC(C(O)=O)=C3)COC4=CC(C(O)=O)=CC(C(O)=O)=C4)=C1
Tpsa
335.32
Logp
3.8744
H Acceptors
12
H Donors
8
Rotatable Bonds
20
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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: C₃₇H₂₈O₂₀
Molecular Weight: 792.61
Synonyms: tetrakis[(3,?5-?dicairboxyphenoxy)?methyl]?methane
SMILES: O=C(O)C1=CC(C(O)=O)=CC(OCC(COC2=CC(C(O)=O)=CC(C(O)=O)=C2)(COC3=CC(C(O)=O)=CC(C(O)=O)=C3)COC4=CC(C(O)=O)=CC(C(O)=O)=C4)=C1
Tpsa: 335.32
Logp: 3.8744
H Acceptors: 12
H Donors: 8
Rotatable Bonds: 20
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₂₈O₂₀
Molecular Weight:
792.61
Synonyms:
tetrakis[(3,?5-?dicairboxyphenoxy)?methyl]?methane
SMILES:
O=C(O)C1=CC(C(O)=O)=CC(OCC(COC2=CC(C(O)=O)=CC(C(O)=O)=C2)(COC3=CC(C(O)=O)=CC(C(O)=O)=C3)COC4=CC(C(O)=O)=CC(C(O)=O)=C4)=C1
Tpsa:
335.32
Logp:
3.8744
H Acceptors:
12
H Donors:
8
Rotatable Bonds:
20
Purity: 97%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₀H₁₄N₂O₁₂
Molecular Weight: 594.44
Synonyms: 5,5'-(1,3,6,8-TETRAHYDRO-1,3,6,8-TETRAOXOBENZO[LMN][3,8]PHENANTHROLINE-2,7-DIYL)BIS[1,3-BENZENEDICARBOXYLIC ACID
SMILES: O=C(N(C1=O)C2=CC(C(O)=O)=CC(C(O)=O)=C2)C3=CC=C(C(N(C4=O)C5=CC(C(O)=O)=CC(C(O)=O)=C5)=O)C6=C4C=CC1=C36
Tpsa: 227.34
Logp: 1.8368
H Acceptors: 10
H Donors: 4
Rotatable Bonds: 6
Purity:
97%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₁₄N₂O₁₂
Molecular Weight:
594.44
Synonyms:
5,5'-(1,3,6,8-TETRAHYDRO-1,3,6,8-TETRAOXOBENZO[LMN][3,8]PHENANTHROLINE-2,7-DIYL)BIS[1,3-BENZENEDICARBOXYLIC ACID
SMILES:
O=C(N(C1=O)C2=CC(C(O)=O)=CC(C(O)=O)=C2)C3=CC=C(C(N(C4=O)C5=CC(C(O)=O)=CC(C(O)=O)=C5)=O)C6=C4C=CC1=C36
Tpsa:
227.34
Logp:
1.8368
H Acceptors:
10
H Donors:
4
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: C₅₀H₃₂O₈
Molecular Weight: 760.78
Synonyms: None
SMILES: O=C(C1=CC=C(C2=CC(C3=CC=C(C(O)=O)C=C3)=CC(C4=C5C=CC=CC5=C(C6=CC(C7=CC=C(C(O)=O)C=C7)=CC(C8=CC=C(C(O)=O)C=C8)=C6)C=C4)=C2)C=C1)O
Tpsa: 149.2
Logp: 11.6346
H Acceptors: 4
H Donors: 4
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:
C₅₀H₃₂O₈
Molecular Weight:
760.78
Synonyms:
None
SMILES:
O=C(C1=CC=C(C2=CC(C3=CC=C(C(O)=O)C=C3)=CC(C4=C5C=CC=CC5=C(C6=CC(C7=CC=C(C(O)=O)C=C7)=CC(C8=CC=C(C(O)=O)C=C8)=C6)C=C4)=C2)C=C1)O
Tpsa:
149.2
Logp:
11.6346
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
10
Purity: 98%
MDL No: MFCD00051954
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₉N₃O
Molecular Weight: 163.18
Synonyms: 1-Cyanoacetyl-3,5-dimethyl-1H-pyrazole
SMILES: N#CCC(N1N=C(C)C=C1C)=O
Tpsa: 58.68
Logp: 1.05382
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD00051954
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₉N₃O
Molecular Weight:
163.18
Synonyms:
1-Cyanoacetyl-3,5-dimethyl-1H-pyrazole
SMILES:
N#CCC(N1N=C(C)C=C1C)=O
Tpsa:
58.68
Logp:
1.05382
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1