CS-0012994
(4-Amino-2-(ethylsulfonyl)pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone
Manufacturer: ChemScene
CAS Number: 741713-38-2
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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
C₁₄H₁₃F₂N₃O₄S
Molecular Weight
357.33
Synonyms
None
SMILES
O=C(C1=CN=C(S(=O)(CC)=O)N=C1N)C2=C(OC)C=CC(F)=C2F
Tpsa
112.24
Logp
1.3702
H Acceptors
7
H Donors
1
Rotatable Bonds
5
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: C₁₄H₁₃F₂N₃O₄S
Molecular Weight: 357.33
Synonyms: None
SMILES: O=C(C1=CN=C(S(=O)(CC)=O)N=C1N)C2=C(OC)C=CC(F)=C2F
Tpsa: 112.24
Logp: 1.3702
H Acceptors: 7
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:
C₁₄H₁₃F₂N₃O₄S
Molecular Weight:
357.33
Synonyms:
None
SMILES:
O=C(C1=CN=C(S(=O)(CC)=O)N=C1N)C2=C(OC)C=CC(F)=C2F
Tpsa:
112.24
Logp:
1.3702
H Acceptors:
7
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: C₄₃H₆₁NO₁₄S₂
Molecular Weight: 880.07
Synonyms: None
SMILES: O=C(/C=C/C(C)=C/[C@H](COS(=O)(C1=CC=CC=C1)=O)[C@@H](CC)O2)[C@H](C)C[C@H](CCOS(=O)(C3=CC=CC=C3)=O)[C@H](OC4[C@@H](O)[C@@H](N(C)C)[C@H](O)[C@H](C)O4)[C@@H](C)[C@H](O)CC2=O
Tpsa: 212.5
Logp: 4.0222
H Acceptors: 15
H Donors: 3
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₃H₆₁NO₁₄S₂
Molecular Weight:
880.07
Synonyms:
None
SMILES:
O=C(/C=C/C(C)=C/[C@H](COS(=O)(C1=CC=CC=C1)=O)[C@@H](CC)O2)[C@H](C)C[C@H](CCOS(=O)(C3=CC=CC=C3)=O)[C@H](OC4[C@@H](O)[C@@H](N(C)C)[C@H](O)[C@H](C)O4)[C@@H](C)[C@H](O)CC2=O
Tpsa:
212.5
Logp:
4.0222
H Acceptors:
15
H Donors:
3
Rotatable Bonds:
13
Purity: 98%
MDL No: MFCD00085683
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀O₄
Molecular Weight: 194.18
Synonyms: Cresopyrine; NSC 49105; AGN 357; Acetyl-o-cresotic acid; 2-(Acetyloxy)-3-methylbenzoic acid
SMILES: O=C(O)C1=CC=CC(C)=C1OC(C)=O
Tpsa: 63.6
Logp: 1.61852
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD00085683
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀O₄
Molecular Weight:
194.18
Synonyms:
Cresopyrine; NSC 49105; AGN 357; Acetyl-o-cresotic acid; 2-(Acetyloxy)-3-methylbenzoic acid
SMILES:
O=C(O)C1=CC=CC(C)=C1OC(C)=O
Tpsa:
63.6
Logp:
1.61852
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₉ClN₂
Molecular Weight: 192.64
Synonyms: 5-Chloro-3-methyl-1-phenylpyrazole
SMILES: CC(C=C1Cl)=NN1C2=CC=CC=C2
Tpsa: 17.82
Logp: 2.83412
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₉ClN₂
Molecular Weight:
192.64
Synonyms:
5-Chloro-3-methyl-1-phenylpyrazole
SMILES:
CC(C=C1Cl)=NN1C2=CC=CC=C2
Tpsa:
17.82
Logp:
2.83412
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1