CS-M2085
2-(((3aS,4R,6S,6aR)-6-((5-amino-6-chloro-2-(propylthio)pyrimidin-4-yl)amino)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol
Manufacturer: ChemScene
CAS Number: None
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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
C₁₇H₂₇ClN₄O₄S
Molecular Weight
418.94
Synonyms
None
SMILES
OCCO[C@@H]1C[C@H](NC2=NC(SCCC)=NC(Cl)=C2N)[C@@H]3[C@H]1OC(C)(C)O3
Tpsa
111.75
Logp
2.2961
H Acceptors
9
H Donors
3
Rotatable Bonds
8
Other Options
...
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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: C₁₇H₂₇ClN₄O₄S
Molecular Weight: 418.94
Synonyms: None
SMILES: OCCO[C@@H]1C[C@H](NC2=NC(SCCC)=NC(Cl)=C2N)[C@@H]3[C@H]1OC(C)(C)O3
Tpsa: 111.75
Logp: 2.2961
H Acceptors: 9
H Donors: 3
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₇ClN₄O₄S
Molecular Weight:
418.94
Synonyms:
None
SMILES:
OCCO[C@@H]1C[C@H](NC2=NC(SCCC)=NC(Cl)=C2N)[C@@H]3[C@H]1OC(C)(C)O3
Tpsa:
111.75
Logp:
2.2961
H Acceptors:
9
H Donors:
3
Rotatable Bonds:
8
Purity: 95%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₉NO₄
Molecular Weight: 217.26
Synonyms: None
SMILES: OCCO[C@@H]1C[C@H](N)[C@@H]2[C@H]1OC(C)(C)O2
Tpsa: 73.94
Logp: -0.385
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₉NO₄
Molecular Weight:
217.26
Synonyms:
None
SMILES:
OCCO[C@@H]1C[C@H](N)[C@@H]2[C@H]1OC(C)(C)O2
Tpsa:
73.94
Logp:
-0.385
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD14706690
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₀N₄
Molecular Weight: 220.31
Synonyms: 2-Pyridinamine, 5-[(4-ethyl-1-piperazinyl)methyl]-
SMILES: NC1=NC=C(CN2CCN(CC)CC2)C=C1
Tpsa: 45.39
Logp: 0.8013
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD14706690
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₀N₄
Molecular Weight:
220.31
Synonyms:
2-Pyridinamine, 5-[(4-ethyl-1-piperazinyl)methyl]-
SMILES:
NC1=NC=C(CN2CCN(CC)CC2)C=C1
Tpsa:
45.39
Logp:
0.8013
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD16660227
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₂BrFN₂
Molecular Weight: 271.13
Synonyms: Abemaciclib Impurity 1
SMILES: CC1=NC2=C(F)C=C(Br)C=C2N1C(C)C
Tpsa: 17.82
Logp: 3.82722
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD16660227
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₂BrFN₂
Molecular Weight:
271.13
Synonyms:
Abemaciclib Impurity 1
SMILES:
CC1=NC2=C(F)C=C(Br)C=C2N1C(C)C
Tpsa:
17.82
Logp:
3.82722
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1