CS-0908712
C,C′-Bis(1,1-dimethylethyl) N-(6-fluoro-3-isoquinolinyl)imidodicarbonate
Manufacturer: ChemScene
CAS Number: 2842053-17-0
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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
C₁₉H₂₃FN₂O₄
Molecular Weight
362.40
Synonyms
None
SMILES
O=C(N(C1=CC2=CC(F)=CC=C2C=N1)C(OC(C)(C)C)=O)OC(C)(C)C
Tpsa
68.73
Logp
5.0505
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: C₁₉H₂₃FN₂O₄
Molecular Weight: 362.40
Synonyms: None
SMILES: O=C(N(C1=CC2=CC(F)=CC=C2C=N1)C(OC(C)(C)C)=O)OC(C)(C)C
Tpsa: 68.73
Logp: 5.0505
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:
C₁₉H₂₃FN₂O₄
Molecular Weight:
362.40
Synonyms:
None
SMILES:
O=C(N(C1=CC2=CC(F)=CC=C2C=N1)C(OC(C)(C)C)=O)OC(C)(C)C
Tpsa:
68.73
Logp:
5.0505
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: polypeptide, sealed storage, away from moisture and light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆₇H₂₆₂N₅₀O₅₃S₄
Molecular Weight: 3946.43
Synonyms: None
SMILES: O=C(N[C@@H](C)C(N1[C@@H](CCC1)C(N[C@@H](CO)C(NCC(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCSC)C(N[C@@H](CO)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](C(C)C)C(N[C@@H](CCCCN)C(N[C@@H](CC(N)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CCC(N)=O)C(N[C@@H](CC(N)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CC(O)=O)C(N2[C@@H](CCC2)C(N[C@@H](CO)C(N[C@@H](CC3=CNC=N3)C(N[C@@H](CCCNC(N)=N)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CO)C(N[C@@H](CC(O)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(O)=O)C(N[C@@H](CC4=CC=C(C=C4)OS(O)(=O)=O)C(N[C@@H](CCSC)C(NCC(N[C@@H](CC5=CNC6=CC=CC=C56)C(N[C@@H](CCSC)C(N[C@@H](CC(O)=O)C(N[C@@H](CC7=CC=CC=C7)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CCCCN)N
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
polypeptide, sealed storage, away from moisture and light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆₇H₂₆₂N₅₀O₅₃S₄
Molecular Weight:
3946.43
Synonyms:
None
SMILES:
O=C(N[C@@H](C)C(N1[C@@H](CCC1)C(N[C@@H](CO)C(NCC(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCSC)C(N[C@@H](CO)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](C(C)C)C(N[C@@H](CCCCN)C(N[C@@H](CC(N)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CCC(N)=O)C(N[C@@H](CC(N)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CC(O)=O)C(N2[C@@H](CCC2)C(N[C@@H](CO)C(N[C@@H](CC3=CNC=N3)C(N[C@@H](CCCNC(N)=N)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CO)C(N[C@@H](CC(O)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(O)=O)C(N[C@@H](CC4=CC=C(C=C4)OS(O)(=O)=O)C(N[C@@H](CCSC)C(NCC(N[C@@H](CC5=CNC6=CC=CC=C56)C(N[C@@H](CCSC)C(N[C@@H](CC(O)=O)C(N[C@@H](CC7=CC=CC=C7)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CCCCN)N
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈BrFN₂O
Molecular Weight: 259.08
Synonyms: None
SMILES: O=C1C(C)(C)C2=NC(F)=C(Br)C=C2N1
Tpsa: 41.99
Logp: 2.2129
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:
C₉H₈BrFN₂O
Molecular Weight:
259.08
Synonyms:
None
SMILES:
O=C1C(C)(C)C2=NC(F)=C(Br)C=C2N1
Tpsa:
41.99
Logp:
2.2129
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: C₈H₈ClFN₂O
Molecular Weight: 202.61
Synonyms: None
SMILES: O=C(NC)C1=CC(N)=C(F)C=C1Cl
Tpsa: 55.12
Logp: 1.4209
H Acceptors: 2
H Donors: 2
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:
C₈H₈ClFN₂O
Molecular Weight:
202.61
Synonyms:
None
SMILES:
O=C(NC)C1=CC(N)=C(F)C=C1Cl
Tpsa:
55.12
Logp:
1.4209
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1