CS-1003499
5-Pyrimidinecarbonitrile, 4-[1-[3-(cyanomethyl)-1-(ethylsulfonyl)-3-azetidinyl]-1H-pyrazol-4-yl]-
Manufacturer: ChemScene
CAS Number: 2964606-44-6
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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
C₁₅H₁₅N₇O₂S
Molecular Weight
357.39
Synonyms
None
SMILES
N#CC=1C=NC=NC1C=2C=NN(C2)C3(CC#N)CN(C3)S(=O)(=O)CC
Tpsa
128.56
Logp
0.48606
H Acceptors
8
H Donors
0
Rotatable Bonds
5
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₅H₁₅N₇O₂S
Molecular Weight: 357.39
Synonyms: None
SMILES: N#CC=1C=NC=NC1C=2C=NN(C2)C3(CC#N)CN(C3)S(=O)(=O)CC
Tpsa: 128.56
Logp: 0.48606
H Acceptors: 8
H Donors: 0
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:
C₁₅H₁₅N₇O₂S
Molecular Weight:
357.39
Synonyms:
None
SMILES:
N#CC=1C=NC=NC1C=2C=NN(C2)C3(CC#N)CN(C3)S(=O)(=O)CC
Tpsa:
128.56
Logp:
0.48606
H Acceptors:
8
H Donors:
0
Rotatable Bonds:
5
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₇FO₅
Molecular Weight: 390.45
Synonyms: None
SMILES: F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@](C(C=O)=O)(O)[C@H](C)C3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]
Tpsa: 91.67
Logp: 2.1023
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 2
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₇FO₅
Molecular Weight:
390.45
Synonyms:
None
SMILES:
F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@](C(C=O)=O)(O)[C@H](C)C3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]
Tpsa:
91.67
Logp:
2.1023
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₃₃ClO₁₀
Molecular Weight: 577.02
Synonyms: None
SMILES: O(C(C)=O)[C@H]1[C@H](O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)C2=CC(CC3=CC=C(OCC)C=C3)=C(Cl)C=C2
Tpsa: 123.66
Logp: 4.1276
H Acceptors: 10
H Donors: 0
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₃₃ClO₁₀
Molecular Weight:
577.02
Synonyms:
None
SMILES:
O(C(C)=O)[C@H]1[C@H](O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)C2=CC(CC3=CC=C(OCC)C=C3)=C(Cl)C=C2
Tpsa:
123.66
Logp:
4.1276
H Acceptors:
10
H Donors:
0
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₇NO₄S₂
Molecular Weight: 209.24
Synonyms: None
SMILES: O=C(O)CSC(=S)NCC(=O)O
Tpsa: 86.63
Logp: -0.2367
H Acceptors: 4
H Donors: 3
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:
C₅H₇NO₄S₂
Molecular Weight:
209.24
Synonyms:
None
SMILES:
O=C(O)CSC(=S)NCC(=O)O
Tpsa:
86.63
Logp:
-0.2367
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
4