CS-0618315
S6768
Manufacturer: ChemScene
CAS Number: 2447642-41-1
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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
C₉₀H₁₀₂Cl₄N₈O₂S₅
Molecular Weight
1629.96
Synonyms
None
SMILES
N#C/C(C#N)=C1\C(C(C2=CC(Cl)=C(C=C21)Cl)=O)=C\C3=C(CCCCCCCCCCC)C(SC4=C5N(CC(CCCCCC)CCCC)C6=C4C7=NSN=C7C8=C6N(CC(CCCCCC)CCCC)C9=C8SC%10=C9SC(/C=C%11C(C%12=CC(Cl)=C(C=C%12C\%11=C(C#N)/C#N)Cl)=O)=C%10CCCCCCCCCCC)=C5S3
Tpsa
164.94
Logp
30.9346
H Acceptors
15
H Donors
0
Rotatable Bonds
42
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: C₉₀H₁₀₂Cl₄N₈O₂S₅
Molecular Weight: 1629.96
Synonyms: None
SMILES: N#C/C(C#N)=C1\C(C(C2=CC(Cl)=C(C=C21)Cl)=O)=C\C3=C(CCCCCCCCCCC)C(SC4=C5N(CC(CCCCCC)CCCC)C6=C4C7=NSN=C7C8=C6N(CC(CCCCCC)CCCC)C9=C8SC%10=C9SC(/C=C%11C(C%12=CC(Cl)=C(C=C%12C\%11=C(C#N)/C#N)Cl)=O)=C%10CCCCCCCCCCC)=C5S3
Tpsa: 164.94
Logp: 30.9346
H Acceptors: 15
H Donors: 0
Rotatable Bonds: 42
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉₀H₁₀₂Cl₄N₈O₂S₅
Molecular Weight:
1629.96
Synonyms:
None
SMILES:
N#C/C(C#N)=C1\C(C(C2=CC(Cl)=C(C=C21)Cl)=O)=C\C3=C(CCCCCCCCCCC)C(SC4=C5N(CC(CCCCCC)CCCC)C6=C4C7=NSN=C7C8=C6N(CC(CCCCCC)CCCC)C9=C8SC%10=C9SC(/C=C%11C(C%12=CC(Cl)=C(C=C%12C\%11=C(C#N)/C#N)Cl)=O)=C%10CCCCCCCCCCC)=C5S3
Tpsa:
164.94
Logp:
30.9346
H Acceptors:
15
H Donors:
0
Rotatable Bonds:
42
Purity: 98%
MDL No: None
Storage: -20°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₃₈N₄O₈Sn
Molecular Weight: 653.31
Synonyms: None
SMILES: O=C(NC(N(CC1=CC=C(C(ON2C(CCC2=O)=O)=O)C=C1[Sn](C)(C)C)C(OC(C)(C)C)=O)=N)OC(C)(C)C
Tpsa: 155.4
Logp: 3.64917
H Acceptors: 9
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
-20°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₃₈N₄O₈Sn
Molecular Weight:
653.31
Synonyms:
None
SMILES:
O=C(NC(N(CC1=CC=C(C(ON2C(CCC2=O)=O)=O)C=C1[Sn](C)(C)C)C(OC(C)(C)C)=O)=N)OC(C)(C)C
Tpsa:
155.4
Logp:
3.64917
H Acceptors:
9
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: MFCD00057449
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₅N₃O₅
Molecular Weight: 257.24
Synonyms: None
SMILES: O[C@@H]1[C@H](OC)[C@@H](CO)O[C@H]1N2C=CC(N)=NC2=O
Tpsa: 119.83
Logp: -1.9089
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD00057449
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₅N₃O₅
Molecular Weight:
257.24
Synonyms:
None
SMILES:
O[C@@H]1[C@H](OC)[C@@H](CO)O[C@H]1N2C=CC(N)=NC2=O
Tpsa:
119.83
Logp:
-1.9089
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₆H₅₂F₂N₈O₆
Molecular Weight: 850.95
Synonyms: None
SMILES: FC(F)(C)C1=CC=CC(C(NC(C(OC)=CC2=N3)=CC2=CN3[C@H]4CC[C@@H](CC4)CN5CCC6(CC(CCNC7=C(C8=O)C(C(N8C(C(N9)=O)CCC9=O)=O)=CC=C7)C6)CC5)=O)=N1
Tpsa: 167.86
Logp: 6.9308
H Acceptors: 11
H Donors: 3
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₆H₅₂F₂N₈O₆
Molecular Weight:
850.95
Synonyms:
None
SMILES:
FC(F)(C)C1=CC=CC(C(NC(C(OC)=CC2=N3)=CC2=CN3[C@H]4CC[C@@H](CC4)CN5CCC6(CC(CCNC7=C(C8=O)C(C(N8C(C(N9)=O)CCC9=O)=O)=CC=C7)C6)CC5)=O)=N1
Tpsa:
167.86
Logp:
6.9308
H Acceptors:
11
H Donors:
3
Rotatable Bonds:
12