CS-0114378
(1R,3S)-N1-(5-Chloro-4-(1-(phenylsulfonyl)-1H-indol-3-yl)pyrimidin-2-yl)-3-methylcyclohexane-1,3-diamine
Manufacturer: ChemScene
CAS Number: 1816989-75-9
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Purity
98%
MDL No
None
Storage
4°C, protect from light
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₅H₂₆ClN₅O₂S
Molecular Weight
496.02
Synonyms
None
SMILES
N[C@]1(C)C[C@H](NC2=NC=C(Cl)C(C3=CN(S(=O)(C4=CC=CC=C4)=O)C5=C3C=CC=C5)=N2)CCC1
Tpsa
102.9
Logp
5.0606
H Acceptors
7
H Donors
2
Rotatable Bonds
5
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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: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₂₆ClN₅O₂S
Molecular Weight: 496.02
Synonyms: None
SMILES: N[C@]1(C)C[C@H](NC2=NC=C(Cl)C(C3=CN(S(=O)(C4=CC=CC=C4)=O)C5=C3C=CC=C5)=N2)CCC1
Tpsa: 102.9
Logp: 5.0606
H Acceptors: 7
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₆ClN₅O₂S
Molecular Weight:
496.02
Synonyms:
None
SMILES:
N[C@]1(C)C[C@H](NC2=NC=C(Cl)C(C3=CN(S(=O)(C4=CC=CC=C4)=O)C5=C3C=CC=C5)=N2)CCC1
Tpsa:
102.9
Logp:
5.0606
H Acceptors:
7
H Donors:
2
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: C₂₂H₁₇N₅O
Molecular Weight: 367.40
Synonyms: None
SMILES: C1(C2=NNC=C2C3=CC=NC=C3)=CC(OCC4=CN5C(C=C4)=NC=C5)=CC=C1
Tpsa: 68.1
Logp: 4.3654
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:
C₂₂H₁₇N₅O
Molecular Weight:
367.40
Synonyms:
None
SMILES:
C1(C2=NNC=C2C3=CC=NC=C3)=CC(OCC4=CN5C(C=C4)=NC=C5)=CC=C1
Tpsa:
68.1
Logp:
4.3654
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: C₉H₉ClO₃
Molecular Weight: 200.62
Synonyms: None
SMILES: O=C(O)C1=CC(Cl)=CC(C)=C1OC
Tpsa: 46.53
Logp: 2.35522
H Acceptors: 2
H Donors: 1
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:
C₉H₉ClO₃
Molecular Weight:
200.62
Synonyms:
None
SMILES:
O=C(O)C1=CC(Cl)=CC(C)=C1OC
Tpsa:
46.53
Logp:
2.35522
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD05664210
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₀
Molecular Weight: 202.25
Synonyms: [Phenanthren-9-yl]ethyne
SMILES: C#CC1=CC2=CC=CC=C2C3=CC=CC=C31
Tpsa: 0
Logp: 3.9743
H Acceptors: 0
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD05664210
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₀
Molecular Weight:
202.25
Synonyms:
[Phenanthren-9-yl]ethyne
SMILES:
C#CC1=CC2=CC=CC=C2C3=CC=CC=C31
Tpsa:
0
Logp:
3.9743
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
0