CS-1002139
N-[4-(4-Fluorophenyl)-6-(1-methylethyl)-5-[(1E,3E)-5-oxo-1,3-hexadien-1-yl]-2-pyrimidinyl]-N-methylmethanesulfonamide
Manufacturer: ChemScene
CAS Number: 1803023-44-0
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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
C₂₁H₂₄FN₃O₃S
Molecular Weight
417.50
Synonyms
None
SMILES
C(=C/C=C/C(C)=O)\C=1C(=NC(N(S(C)(=O)=O)C)=NC1C(C)C)C2=CC=C(F)C=C2
Tpsa
80.23
Logp
3.9603
H Acceptors
5
H Donors
0
Rotatable Bonds
7
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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: C₂₁H₂₄FN₃O₃S
Molecular Weight: 417.50
Synonyms: None
SMILES: C(=C/C=C/C(C)=O)\C=1C(=NC(N(S(C)(=O)=O)C)=NC1C(C)C)C2=CC=C(F)C=C2
Tpsa: 80.23
Logp: 3.9603
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₄FN₃O₃S
Molecular Weight:
417.50
Synonyms:
None
SMILES:
C(=C/C=C/C(C)=O)\C=1C(=NC(N(S(C)(=O)=O)C)=NC1C(C)C)C2=CC=C(F)C=C2
Tpsa:
80.23
Logp:
3.9603
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₁N₃
Molecular Weight: 137.18
Synonyms: None
SMILES: [C@H]1(CCNC1)C=2C=CNN2
Tpsa: 40.71
Logp: 0.4866
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:
C₇H₁₁N₃
Molecular Weight:
137.18
Synonyms:
None
SMILES:
[C@H]1(CCNC1)C=2C=CNN2
Tpsa:
40.71
Logp:
0.4866
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: C₁₀H₉NO₂
Molecular Weight: 175.18
Synonyms: None
SMILES: C(/N=C/C1=CC=CO1)C2=CC=CO2
Tpsa: 38.64
Logp: 2.4917
H Acceptors: 3
H Donors: 0
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:
C₁₀H₉NO₂
Molecular Weight:
175.18
Synonyms:
None
SMILES:
C(/N=C/C1=CC=CO1)C2=CC=CO2
Tpsa:
38.64
Logp:
2.4917
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₀Cl₂N₂O₂
Molecular Weight: 225.07
Synonyms: None
SMILES: C(C(Cl)Cl)(=O)N1[C@H](C(N)=O)CCC1
Tpsa: 63.4
Logp: 0.2664
H Acceptors: 2
H Donors: 1
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:
C₇H₁₀Cl₂N₂O₂
Molecular Weight:
225.07
Synonyms:
None
SMILES:
C(C(Cl)Cl)(=O)N1[C@H](C(N)=O)CCC1
Tpsa:
63.4
Logp:
0.2664
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2