CS-0529747
tert-Butyl (1R,3S)-5'-bromo-4'-chloro-3-hydroxyspiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridine]-1'(2'H)-carboxylate
Manufacturer: ChemScene
CAS Number: 2413811-29-5
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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
C₁₆H₂₀BrClN₂O₃
Molecular Weight
403.70
Synonyms
None
SMILES
ClC1=C2[C@]3(CC[C@@H](C3)O)CN(C2=NC=C1Br)C(OC(C)(C)C)=O
Tpsa
62.66
Logp
4.0352
H Acceptors
4
H Donors
1
Rotatable Bonds
0
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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: C₁₆H₂₀BrClN₂O₃
Molecular Weight: 403.70
Synonyms: None
SMILES: ClC1=C2[C@]3(CC[C@@H](C3)O)CN(C2=NC=C1Br)C(OC(C)(C)C)=O
Tpsa: 62.66
Logp: 4.0352
H Acceptors: 4
H Donors: 1
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:
C₁₆H₂₀BrClN₂O₃
Molecular Weight:
403.70
Synonyms:
None
SMILES:
ClC1=C2[C@]3(CC[C@@H](C3)O)CN(C2=NC=C1Br)C(OC(C)(C)C)=O
Tpsa:
62.66
Logp:
4.0352
H Acceptors:
4
H Donors:
1
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: C₁₄H₁₉BrF₂N₂O₄
Molecular Weight: 397.21
Synonyms: None
SMILES: BrC1=CN(CC(F)(CNC(OC(C)(C)C)=O)F)C(C(OC)=O)=C1
Tpsa: 69.56
Logp: 3.1972
H Acceptors: 5
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:
C₁₄H₁₉BrF₂N₂O₄
Molecular Weight:
397.21
Synonyms:
None
SMILES:
BrC1=CN(CC(F)(CNC(OC(C)(C)C)=O)F)C(C(OC)=O)=C1
Tpsa:
69.56
Logp:
3.1972
H Acceptors:
5
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: C₁₀H₁₁BrN₂
Molecular Weight: 239.11
Synonyms: None
SMILES: BrC1=CN=C2NCC3(CCC3)C2=C1
Tpsa: 24.92
Logp: 2.6913
H Acceptors: 2
H Donors: 1
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:
C₁₀H₁₁BrN₂
Molecular Weight:
239.11
Synonyms:
None
SMILES:
BrC1=CN=C2NCC3(CCC3)C2=C1
Tpsa:
24.92
Logp:
2.6913
H Acceptors:
2
H Donors:
1
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: C₁₀H₁₀BrClN₂
Molecular Weight: 273.56
Synonyms: None
SMILES: ClC1=C2C3(CCC3)CNC2=NC=C1Br
Tpsa: 24.92
Logp: 3.3447
H Acceptors: 2
H Donors: 1
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:
C₁₀H₁₀BrClN₂
Molecular Weight:
273.56
Synonyms:
None
SMILES:
ClC1=C2C3(CCC3)CNC2=NC=C1Br
Tpsa:
24.92
Logp:
3.3447
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0