CS-0379769
Ethyl 6-bromo-5-hydroxy-1-methyl-4-((methylamino)methyl)-2-((phenylthio)methyl)-1H-indole-3-carboxylate Arbidol Impurity
Manufacturer: ChemScene
CAS Number: 1130901-04-0
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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
C₂₁H₂₃BrN₂O₃S
Molecular Weight
463.39
Synonyms
None
SMILES
O=C(C1=C(CSC2=CC=CC=C2)N(C)C3=C1C(CNC)=C(O)C(Br)=C3)OCC
Tpsa
63.49
Logp
4.8348
H Acceptors
6
H Donors
2
Rotatable Bonds
7
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1130901-04-0 | Demethyl Arbidol | A2B Chem | -- |
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₂₁H₂₃BrN₂O₃S
Molecular Weight: 463.39
Synonyms: None
SMILES: O=C(C1=C(CSC2=CC=CC=C2)N(C)C3=C1C(CNC)=C(O)C(Br)=C3)OCC
Tpsa: 63.49
Logp: 4.8348
H Acceptors: 6
H Donors: 2
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:
C₂₁H₂₃BrN₂O₃S
Molecular Weight:
463.39
Synonyms:
None
SMILES:
O=C(C1=C(CSC2=CC=CC=C2)N(C)C3=C1C(CNC)=C(O)C(Br)=C3)OCC
Tpsa:
63.49
Logp:
4.8348
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
7
Purity: 98%
MDL No: MFCD23703018
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₃₀N₄O₄S
Molecular Weight: 494.61
Synonyms: 6-Methoxy-1-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole
SMILES: O=S(C1=NC2=CC(OC)=CC=C2N1CC3=NC=C(C)C(OC)=C3C)CC4=NC=C(C)C(OC)=C4C
Tpsa: 88.36
Logp: 4.44188
H Acceptors: 8
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
MFCD23703018
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₃₀N₄O₄S
Molecular Weight:
494.61
Synonyms:
6-Methoxy-1-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole
SMILES:
O=S(C1=NC2=CC(OC)=CC=C2N1CC3=NC=C(C)C(OC)=C3C)CC4=NC=C(C)C(OC)=C4C
Tpsa:
88.36
Logp:
4.44188
H Acceptors:
8
H Donors:
0
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: C₁₇H₂₂N₁₀O₆
Molecular Weight: 462.42
Synonyms: 2,2'-(methylenebis(azanediyl))bis(9-((2-hydroxyethoxy)methyl)-1H-purin-6(9H)-one)
SMILES: O=C1N=C(NCNC2=NC(C3=C(N2)N(COCCO)C=N3)=O)NC4=C1N=CN4COCCO
Tpsa: 210.12
Logp: -2.0331
H Acceptors: 14
H Donors: 6
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₂N₁₀O₆
Molecular Weight:
462.42
Synonyms:
2,2'-(methylenebis(azanediyl))bis(9-((2-hydroxyethoxy)methyl)-1H-purin-6(9H)-one)
SMILES:
O=C1N=C(NCNC2=NC(C3=C(N2)N(COCCO)C=N3)=O)NC4=C1N=CN4COCCO
Tpsa:
210.12
Logp:
-2.0331
H Acceptors:
14
H Donors:
6
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₇N₅NaO₇S₂
Molecular Weight: 478.46
Synonyms: sodium (6R,7R)-3-(acetoxymethyl)-7-((E)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SMILES: OC(C1=C(COC(C)=O)CS[C@@]([C@@H]2NC(/C(C3=CSC(N)=N3)=N/OC)=O)([H])N1C2=O)=O.[Na]
Tpsa: 173.51
Logp: -1.271
H Acceptors: 11
H Donors: 3
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:
C₁₆H₁₇N₅NaO₇S₂
Molecular Weight:
478.46
Synonyms:
sodium (6R,7R)-3-(acetoxymethyl)-7-((E)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SMILES:
OC(C1=C(COC(C)=O)CS[C@@]([C@@H]2NC(/C(C3=CSC(N)=N3)=N/OC)=O)([H])N1C2=O)=O.[Na]
Tpsa:
173.51
Logp:
-1.271
H Acceptors:
11
H Donors:
3
Rotatable Bonds:
7