CS-1003361
Methyl (1R,2S,5S)-3-[(2S)-3,3-dimethyl-1-oxo-2-[(2,2,2-trifluoroacetyl)amino]butyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
Manufacturer: ChemScene
CAS Number: 2742706-71-2
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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
C₁₇H₂₅F₃N₂O₄
Molecular Weight
378.39
Synonyms
None
SMILES
C(OC)(=O)[C@@H]1[C@@]2([C@@](C2(C)C)(CN1C([C@@H](NC(C(F)(F)F)=O)[C@](C)(C)C)=O)[H])[H]
Tpsa
75.71
Logp
1.7356
H Acceptors
4
H Donors
1
Rotatable Bonds
3
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: C₁₇H₂₅F₃N₂O₄
Molecular Weight: 378.39
Synonyms: None
SMILES: C(OC)(=O)[C@@H]1[C@@]2([C@@](C2(C)C)(CN1C([C@@H](NC(C(F)(F)F)=O)[C@](C)(C)C)=O)[H])[H]
Tpsa: 75.71
Logp: 1.7356
H Acceptors: 4
H Donors: 1
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:
C₁₇H₂₅F₃N₂O₄
Molecular Weight:
378.39
Synonyms:
None
SMILES:
C(OC)(=O)[C@@H]1[C@@]2([C@@](C2(C)C)(CN1C([C@@H](NC(C(F)(F)F)=O)[C@](C)(C)C)=O)[H])[H]
Tpsa:
75.71
Logp:
1.7356
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₃₂F₂O₅
Molecular Weight: 390.46
Synonyms: None
SMILES: [C@@](CCCC)(F)(F)[C@@]1(O)O[C@@]2([C@@](CC1)([C@H](CCCCCCC(O)=O)C(=O)C2)[H])[H]
Tpsa: 83.83
Logp: 4.3099
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 11
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₃₂F₂O₅
Molecular Weight:
390.46
Synonyms:
None
SMILES:
[C@@](CCCC)(F)(F)[C@@]1(O)O[C@@]2([C@@](CC1)([C@H](CCCCCCC(O)=O)C(=O)C2)[H])[H]
Tpsa:
83.83
Logp:
4.3099
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₁N₅O₃S
Molecular Weight: 339.41
Synonyms: None
SMILES: N(C)(C1=C2C(=NC=N1)NC=C2)[C@H]3C[C@@H](NS(C[C@H](C)O)(=O)=O)C3
Tpsa: 111.21
Logp: 0.2253
H Acceptors: 6
H Donors: 3
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:
C₁₄H₂₁N₅O₃S
Molecular Weight:
339.41
Synonyms:
None
SMILES:
N(C)(C1=C2C(=NC=N1)NC=C2)[C@H]3C[C@@H](NS(C[C@H](C)O)(=O)=O)C3
Tpsa:
111.21
Logp:
0.2253
H Acceptors:
6
H Donors:
3
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: C₁₄H₂₁N₅O₃S
Molecular Weight: 339.41
Synonyms: None
SMILES: N(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3C[C@@H](NS(CCCO)(=O)=O)C3
Tpsa: 111.21
Logp: 0.2269
H Acceptors: 6
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:
C₁₄H₂₁N₅O₃S
Molecular Weight:
339.41
Synonyms:
None
SMILES:
N(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3C[C@@H](NS(CCCO)(=O)=O)C3
Tpsa:
111.21
Logp:
0.2269
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
7