CS-0516079
(5AS,10bR)-2-(2,6-dimethoxyphenyl)-5a,10b-dihydro-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium chloride
Manufacturer: ChemScene
CAS Number: 1447813-90-2
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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
C₂₀H₂₀ClN₃O₃
Molecular Weight
385.84
Synonyms
(5aS,10bR)-2-(2,6-Dimethoxyphenyl)-5a,10b-dihydro-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium Chloride
SMILES
O(C)C1=C([N+]2=CN3[C@@]4(C=5C(C[C@@]4(OCC3=N2)[H])=CC=CC5)[H])C(OC)=CC=C1.[Cl-]
Tpsa
49.39
Logp
-0.7747
H Acceptors
5
H Donors
0
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1447813-90-2 | (5AS,10bR)-2-(2,6-dimethoxyphenyl)-5a,10b-dihydro-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium chloride | A2B Chem | -- |
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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: C₂₀H₂₀ClN₃O₃
Molecular Weight: 385.84
Synonyms: (5aS,10bR)-2-(2,6-Dimethoxyphenyl)-5a,10b-dihydro-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium Chloride
SMILES: O(C)C1=C([N+]2=CN3[C@@]4(C=5C(C[C@@]4(OCC3=N2)[H])=CC=CC5)[H])C(OC)=CC=C1.[Cl-]
Tpsa: 49.39
Logp: -0.7747
H Acceptors: 5
H Donors: 0
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:
C₂₀H₂₀ClN₃O₃
Molecular Weight:
385.84
Synonyms:
(5aS,10bR)-2-(2,6-Dimethoxyphenyl)-5a,10b-dihydro-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium Chloride
SMILES:
O(C)C1=C([N+]2=CN3[C@@]4(C=5C(C[C@@]4(OCC3=N2)[H])=CC=CC5)[H])C(OC)=CC=C1.[Cl-]
Tpsa:
49.39
Logp:
-0.7747
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD07371796
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈F₃NO₂
Molecular Weight: 219.16
Synonyms: (R)-2-Amino-2-(4-trifluoromethylphenyl)acetic acid
SMILES: N[C@@H](C(=O)O)C1=CC=C(C(F)(F)F)C=C1
Tpsa: 63.32
Logp: 1.7898
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD07371796
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈F₃NO₂
Molecular Weight:
219.16
Synonyms:
(R)-2-Amino-2-(4-trifluoromethylphenyl)acetic acid
SMILES:
N[C@@H](C(=O)O)C1=CC=C(C(F)(F)F)C=C1
Tpsa:
63.32
Logp:
1.7898
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD31650074
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₆F₂O₂
Molecular Weight: 218.24
Synonyms: Spiro[2.5]octane-6-carboxylic acid, 1,1-difluoro-, ethyl ester
SMILES: O=C(C(CC1)CCC21CC2(F)F)OCC
Tpsa: 26.3
Logp: 2.7651
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD31650074
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₆F₂O₂
Molecular Weight:
218.24
Synonyms:
Spiro[2.5]octane-6-carboxylic acid, 1,1-difluoro-, ethyl ester
SMILES:
O=C(C(CC1)CCC21CC2(F)F)OCC
Tpsa:
26.3
Logp:
2.7651
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD06796712
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₁ClN₂O₂
Molecular Weight: 226.66
Synonyms: M-CYANO-L-PHENYLALANINE
SMILES: C([C@@H](C(O)=O)N)C1=CC(C#N)=CC=C1.Cl
Tpsa: 87.11
Logp: 0.93448
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD06796712
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₁ClN₂O₂
Molecular Weight:
226.66
Synonyms:
M-CYANO-L-PHENYLALANINE
SMILES:
C([C@@H](C(O)=O)N)C1=CC(C#N)=CC=C1.Cl
Tpsa:
87.11
Logp:
0.93448
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3