CS-0858024
4,4'-[[5-Bromo-2-[(4-cyanophenyl)amino]-4,6-pyrimidinediyl]bis(oxy)]bis[3,5-dimethylbenzonitrile]
Manufacturer: ChemScene
CAS Number: 1704730-70-0
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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
C₃₀H₂₃BrN₆O
Molecular Weight
563.45
Synonyms
None
SMILES
CC1=CC(C#N)=CC(C)=C1OC2=NC(NC3=CC=C(C#N)C=C3)=NC(CC(C(C)=CC(C#N)=C4)=C4C)=C2Br
Tpsa
118.41
Logp
7.21452
H Acceptors
7
H Donors
1
Rotatable Bonds
6
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1704730-70-0 | 4,4'-[[5-Bromo-2-[(4-cyanophenyl)amino]-4,6-pyrimidinediyl]bis(oxy)]bis[3,5-dimethylbenzonitrile] | A2B Chem | -- |
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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: C₃₀H₂₃BrN₆O
Molecular Weight: 563.45
Synonyms: None
SMILES: CC1=CC(C#N)=CC(C)=C1OC2=NC(NC3=CC=C(C#N)C=C3)=NC(CC(C(C)=CC(C#N)=C4)=C4C)=C2Br
Tpsa: 118.41
Logp: 7.21452
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₂₃BrN₆O
Molecular Weight:
563.45
Synonyms:
None
SMILES:
CC1=CC(C#N)=CC(C)=C1OC2=NC(NC3=CC=C(C#N)C=C3)=NC(CC(C(C)=CC(C#N)=C4)=C4C)=C2Br
Tpsa:
118.41
Logp:
7.21452
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
6
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₉BrN₂O₂
Molecular Weight: 339.23
Synonyms: None
SMILES: O=C(N1CC2(CNC3=C2C=CC=C3Br)C1)OC(C)(C)C
Tpsa: 41.57
Logp: 3.3631
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₉BrN₂O₂
Molecular Weight:
339.23
Synonyms:
None
SMILES:
O=C(N1CC2(CNC3=C2C=CC=C3Br)C1)OC(C)(C)C
Tpsa:
41.57
Logp:
3.3631
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₄N₄O₄S
Molecular Weight: 334.35
Synonyms: None
SMILES: [O-]C(C(N1[C@@]2([H])[C@H](N)C1=O)=C(CS2)C[N+]3=CC=C(C(N)=O)C=C3)=O
Tpsa: 133.43
Logp: -2.6806
H Acceptors: 6
H Donors: 2
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:
C₁₄H₁₄N₄O₄S
Molecular Weight:
334.35
Synonyms:
None
SMILES:
[O-]C(C(N1[C@@]2([H])[C@H](N)C1=O)=C(CS2)C[N+]3=CC=C(C(N)=O)C=C3)=O
Tpsa:
133.43
Logp:
-2.6806
H Acceptors:
6
H Donors:
2
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: C₁₁H₁₉NO₃
Molecular Weight: 213.27
Synonyms: None
SMILES: CC[C@@H](C(O)=O)N1C[C@@H](CCC)CC1=O
Tpsa: 57.61
Logp: 1.4982
H Acceptors: 2
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:
C₁₁H₁₉NO₃
Molecular Weight:
213.27
Synonyms:
None
SMILES:
CC[C@@H](C(O)=O)N1C[C@@H](CCC)CC1=O
Tpsa:
57.61
Logp:
1.4982
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
5