CS-0870856
tert-Butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-5,7-dihydro-6h-pyrrolo[3,4-b]pyridine-6-carboxylate
Manufacturer: ChemScene
CAS Number: 1998153-20-0
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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
C₁₉H₁₅ClFN₃O₃
Molecular Weight
387.79
Synonyms
None
SMILES
O=C(N1CC2=NC(C3=C(F)C=CC=C3C#N)=CC(Cl)=C2C1=O)OC(C)(C)C
Tpsa
83.29
Logp
4.30368
H Acceptors
5
H Donors
0
Rotatable Bonds
1
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: C₁₉H₁₅ClFN₃O₃
Molecular Weight: 387.79
Synonyms: None
SMILES: O=C(N1CC2=NC(C3=C(F)C=CC=C3C#N)=CC(Cl)=C2C1=O)OC(C)(C)C
Tpsa: 83.29
Logp: 4.30368
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₁₅ClFN₃O₃
Molecular Weight:
387.79
Synonyms:
None
SMILES:
O=C(N1CC2=NC(C3=C(F)C=CC=C3C#N)=CC(Cl)=C2C1=O)OC(C)(C)C
Tpsa:
83.29
Logp:
4.30368
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
1
Purity: 95%
MDL No: MFCD30474713
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₇BrFNO₄
Molecular Weight: 362.19
Synonyms: None
SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C=C1)Br)F)C(=O)O
Tpsa: 75.63
Logp: 3.1086
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 4
Purity:
95%
MDL No:
MFCD30474713
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₇BrFNO₄
Molecular Weight:
362.19
Synonyms:
None
SMILES:
CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C=C1)Br)F)C(=O)O
Tpsa:
75.63
Logp:
3.1086
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₂₁F₂NO₄
Molecular Weight: 437.44
Synonyms: None
SMILES: O=C(O)[C@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC=C(C(F)F)C=C4
Tpsa: 75.63
Logp: 5.1586
H Acceptors: 3
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:
C₂₅H₂₁F₂NO₄
Molecular Weight:
437.44
Synonyms:
None
SMILES:
O=C(O)[C@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC=C(C(F)F)C=C4
Tpsa:
75.63
Logp:
5.1586
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
7
Purity: 95%
MDL No: MFCD30829018
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₇NO₂S
Molecular Weight: 203.30
Synonyms: None
SMILES: CC(C)(C)S(/N=C/C1CCCO1)=O
Tpsa: 38.66
Logp: 1.6984
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
95%
MDL No:
MFCD30829018
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₇NO₂S
Molecular Weight:
203.30
Synonyms:
None
SMILES:
CC(C)(C)S(/N=C/C1CCCO1)=O
Tpsa:
38.66
Logp:
1.6984
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2