CS-0648574
6-(1,1-Dimethylethyl) 4a-methyl (4aR)-1-(4-fluorophenyl)-7,8-dihydro-1H-pyrazolo[3,4-g]isoquinoline-4a,6(4H,5H)-dicarboxylate
Manufacturer: ChemScene
CAS Number: 864972-21-4
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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
C₂₃H₂₆FN₃O₄
Molecular Weight
427.47
Synonyms
None
SMILES
COC([C@@]12C(CCN(C2)C(OC(C)(C)C)=O)=CC3=C(C=NN3C4=CC=C(C=C4)F)C1)=O
Tpsa
73.66
Logp
3.7511
H Acceptors
6
H Donors
0
Rotatable Bonds
2
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: C₂₃H₂₆FN₃O₄
Molecular Weight: 427.47
Synonyms: None
SMILES: COC([C@@]12C(CCN(C2)C(OC(C)(C)C)=O)=CC3=C(C=NN3C4=CC=C(C=C4)F)C1)=O
Tpsa: 73.66
Logp: 3.7511
H Acceptors: 6
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:
C₂₃H₂₆FN₃O₄
Molecular Weight:
427.47
Synonyms:
None
SMILES:
COC([C@@]12C(CCN(C2)C(OC(C)(C)C)=O)=CC3=C(C=NN3C4=CC=C(C=C4)F)C1)=O
Tpsa:
73.66
Logp:
3.7511
H Acceptors:
6
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: C₁₀H₁₀F₃NO
Molecular Weight: 217.19
Synonyms: None
SMILES: FC1=C2C(C[C@@H]([C@@H]2N)O)=CC(C(F)F)=C1
Tpsa: 46.25
Logp: 1.6801
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:
C₁₀H₁₀F₃NO
Molecular Weight:
217.19
Synonyms:
None
SMILES:
FC1=C2C(C[C@@H]([C@@H]2N)O)=CC(C(F)F)=C1
Tpsa:
46.25
Logp:
1.6801
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: C₁₁H₁₀BrNS
Molecular Weight: 268.17
Synonyms: None
SMILES: BrC1=CC=C(NCC2=CC=CS2)C=C1
Tpsa: 12.03
Logp: 4.1227
H Acceptors: 2
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:
C₁₁H₁₀BrNS
Molecular Weight:
268.17
Synonyms:
None
SMILES:
BrC1=CC=C(NCC2=CC=CS2)C=C1
Tpsa:
12.03
Logp:
4.1227
H Acceptors:
2
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: C₁₂H₁₂ClNO₂S
Molecular Weight: 269.75
Synonyms: None
SMILES: O=S(C1=CC2=C(Cl)C=CN=C2C=C1)(C(C)C)=O
Tpsa: 47.03
Logp: 3.0703
H Acceptors: 3
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:
C₁₂H₁₂ClNO₂S
Molecular Weight:
269.75
Synonyms:
None
SMILES:
O=S(C1=CC2=C(Cl)C=CN=C2C=C1)(C(C)C)=O
Tpsa:
47.03
Logp:
3.0703
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2