CS-1000552
Bosentan Impurity 6
Manufacturer: ChemScene
CAS Number: 1160515-53-6
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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
C₂₉H₃₁N₅O₇S
Molecular Weight
593.65
Synonyms
None
SMILES
O=C(OCCOC1=NC(=NC(NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)=C1OC=3C=CC=CC3OC)C4=NC=CC=N4)C
Tpsa
151.72
Logp
4.7747
H Acceptors
11
H Donors
1
Rotatable Bonds
11
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: C₂₉H₃₁N₅O₇S
Molecular Weight: 593.65
Synonyms: None
SMILES: O=C(OCCOC1=NC(=NC(NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)=C1OC=3C=CC=CC3OC)C4=NC=CC=N4)C
Tpsa: 151.72
Logp: 4.7747
H Acceptors: 11
H Donors: 1
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₃₁N₅O₇S
Molecular Weight:
593.65
Synonyms:
None
SMILES:
O=C(OCCOC1=NC(=NC(NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)=C1OC=3C=CC=CC3OC)C4=NC=CC=N4)C
Tpsa:
151.72
Logp:
4.7747
H Acceptors:
11
H Donors:
1
Rotatable Bonds:
11
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₀H₄₈N₈O₆
Molecular Weight: 616.75
Synonyms: None
SMILES: O=C1C=2C(=CC=C(NCCNCCO)C2C(=O)C=3C(=CC=C(NCCNCCO)C13)NCCNCCO)NCCNCCO
Tpsa: 211.3
Logp: -1.5628
H Acceptors: 14
H Donors: 12
Rotatable Bonds: 24
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₄₈N₈O₆
Molecular Weight:
616.75
Synonyms:
None
SMILES:
O=C1C=2C(=CC=C(NCCNCCO)C2C(=O)C=3C(=CC=C(NCCNCCO)C13)NCCNCCO)NCCNCCO
Tpsa:
211.3
Logp:
-1.5628
H Acceptors:
14
H Donors:
12
Rotatable Bonds:
24
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₅ClN₂O₂
Molecular Weight: 254.71
Synonyms: None
SMILES: O=CC1=C2NC(=C(C(=O)N2CCC1)CCCl)C
Tpsa: 49.41
Logp: 1.5254
H Acceptors: 3
H Donors: 1
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:
C₁₂H₁₅ClN₂O₂
Molecular Weight:
254.71
Synonyms:
None
SMILES:
O=CC1=C2NC(=C(C(=O)N2CCC1)CCCl)C
Tpsa:
49.41
Logp:
1.5254
H Acceptors:
3
H Donors:
1
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: C₂₂H₃₀O₃
Molecular Weight: 342.47
Synonyms: None
SMILES: C(C)[C@@]12[C@]([C@]3([C@]([C@@](C)(O)C1)([C@@]4(C(CC3)=CC(=O)CC4)[H])[H])[H])(CC[C@]2(C#C)O)[H]
Tpsa: 57.53
Logp: 3.2435
H Acceptors: 3
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:
C₂₂H₃₀O₃
Molecular Weight:
342.47
Synonyms:
None
SMILES:
C(C)[C@@]12[C@]([C@]3([C@]([C@@](C)(O)C1)([C@@]4(C(CC3)=CC(=O)CC4)[H])[H])[H])(CC[C@]2(C#C)O)[H]
Tpsa:
57.53
Logp:
3.2435
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1