CS-0908609
3-Benzyl 8-(tert-butyl) (1S,2S,5R)-2-((S)-1-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octane-3,8-dicarboxylate
Manufacturer: ChemScene
CAS Number: 2916865-94-4
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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
C₂₁H₃₀N₂O₅
Molecular Weight
390.47
Synonyms
None
SMILES
O=C(N1[C@H]([C@@H](O)C)[C@](N2C(OC(C)(C)C)=O)([H])CC[C@]2([H])C1)OCC3=CC=CC=C3
Tpsa
79.31
Logp
3.1563
H Acceptors
5
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: C₂₁H₃₀N₂O₅
Molecular Weight: 390.47
Synonyms: None
SMILES: O=C(N1[C@H]([C@@H](O)C)[C@](N2C(OC(C)(C)C)=O)([H])CC[C@]2([H])C1)OCC3=CC=CC=C3
Tpsa: 79.31
Logp: 3.1563
H Acceptors: 5
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:
C₂₁H₃₀N₂O₅
Molecular Weight:
390.47
Synonyms:
None
SMILES:
O=C(N1[C@H]([C@@H](O)C)[C@](N2C(OC(C)(C)C)=O)([H])CC[C@]2([H])C1)OCC3=CC=CC=C3
Tpsa:
79.31
Logp:
3.1563
H Acceptors:
5
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: C₉H₅BrCl₂FN₃S
Molecular Weight: 357.03
Synonyms: None
SMILES: FC1=C(Cl)N=C(Br)C2=C(Cl)N=C(SCC)N=C21
Tpsa: 38.67
Logp: 4.3452
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₅BrCl₂FN₃S
Molecular Weight:
357.03
Synonyms:
None
SMILES:
FC1=C(Cl)N=C(Br)C2=C(Cl)N=C(SCC)N=C21
Tpsa:
38.67
Logp:
4.3452
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈HBrCl₃FN₂
Molecular Weight: 330.37
Synonyms: None
SMILES: FC1=C(Cl)C=C(Br)C2=C(Cl)N=C(Cl)N=C12
Tpsa: 25.78
Logp: 4.4916
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈HBrCl₃FN₂
Molecular Weight:
330.37
Synonyms:
None
SMILES:
FC1=C(Cl)C=C(Br)C2=C(Cl)N=C(Cl)N=C12
Tpsa:
25.78
Logp:
4.4916
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₈N₂O₂
Molecular Weight: 152.15
Synonyms: None
SMILES: NC1=CC2=C(OCCO2)C=N1
Tpsa: 57.37
Logp: 0.435
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 0
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₈N₂O₂
Molecular Weight:
152.15
Synonyms:
None
SMILES:
NC1=CC2=C(OCCO2)C=N1
Tpsa:
57.37
Logp:
0.435
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
0