CS-0571259
Dimethyl 7-hydroxy-7'-methoxy-[4,4'-bibenzo[d][1,3]dioxole]-5,5'-dicarboxylate
Manufacturer: ChemScene
CAS Number: 91828-88-5
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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
C₁₉H₁₆O₁₀
Molecular Weight
404.32
Synonyms
Mono-O-demethylated bdd
SMILES
COC1=C2C(=C(C(=C1)C(=O)OC)C3=C4C(=C(C=C3C(=O)OC)O)OCO4)OCO2
Tpsa
118.98
Logp
2.0984
H Acceptors
10
H Donors
1
Rotatable Bonds
4
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: C₁₉H₁₆O₁₀
Molecular Weight: 404.32
Synonyms: Mono-O-demethylated bdd
SMILES: COC1=C2C(=C(C(=C1)C(=O)OC)C3=C4C(=C(C=C3C(=O)OC)O)OCO4)OCO2
Tpsa: 118.98
Logp: 2.0984
H Acceptors: 10
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:
C₁₉H₁₆O₁₀
Molecular Weight:
404.32
Synonyms:
Mono-O-demethylated bdd
SMILES:
COC1=C2C(=C(C(=C1)C(=O)OC)C3=C4C(=C(C=C3C(=O)OC)O)OCO4)OCO2
Tpsa:
118.98
Logp:
2.0984
H Acceptors:
10
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: C₉H₁₉NO₂
Molecular Weight: 173.25
Synonyms: Remdesivir-003-S
SMILES: C(COC([C@H](C)N)=O)(CC)CC
Tpsa: 52.32
Logp: 1.313
H Acceptors: 3
H Donors: 1
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:
C₉H₁₉NO₂
Molecular Weight:
173.25
Synonyms:
Remdesivir-003-S
SMILES:
C(COC([C@H](C)N)=O)(CC)CC
Tpsa:
52.32
Logp:
1.313
H Acceptors:
3
H Donors:
1
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: C₂₂H₂₀N₈O₅S₄
Molecular Weight: 604.70
Synonyms: Ceftaroline Impurity U3
SMILES: C([O-])(=O)C=1N2[C@@]([C@H](NC(C(=NOCC)C3=NSC(N)=N3)=O)C2=O)(SCC1SC4=NC(=CS4)C=5C=C[N+](C)=CC5)[H]
Tpsa: 179.7
Logp: -0.0374
H Acceptors: 14
H Donors: 2
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₀N₈O₅S₄
Molecular Weight:
604.70
Synonyms:
Ceftaroline Impurity U3
SMILES:
C([O-])(=O)C=1N2[C@@]([C@H](NC(C(=NOCC)C3=NSC(N)=N3)=O)C2=O)(SCC1SC4=NC(=CS4)C=5C=C[N+](C)=CC5)[H]
Tpsa:
179.7
Logp:
-0.0374
H Acceptors:
14
H Donors:
2
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₆ClNO₂
Molecular Weight: 311.85
Synonyms: Piperidine, 4-[(2,3-dihydro-5,6 -diMethoxy-1H-inden-2-yl) Methyl]-, hydrochloride
SMILES: COC1=C(C=C2CC(CC2=C1)CC3CCNCC3)OC.Cl
Tpsa: 30.49
Logp: 3.2301
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:
C₁₇H₂₆ClNO₂
Molecular Weight:
311.85
Synonyms:
Piperidine, 4-[(2,3-dihydro-5,6 -diMethoxy-1H-inden-2-yl) Methyl]-, hydrochloride
SMILES:
COC1=C(C=C2CC(CC2=C1)CC3CCNCC3)OC.Cl
Tpsa:
30.49
Logp:
3.2301
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4