CS-1005108
Montelukast Impurity 9
Manufacturer: ChemScene
CAS Number: 866923-62-8
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₅H₃₅ClN₂OS
Molecular Weight
567.18
Synonyms
None
SMILES
C(S[C@H](CCC1=C(C(C)(C)O)C=CC=C1)C2=CC(/C=C/C3=NC4=C(C=C3)C=CC(Cl)=C4)=CC=C2)C5(CC#N)CC5
Tpsa
56.91
Logp
9.38698
H Acceptors
4
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: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₅H₃₅ClN₂OS
Molecular Weight: 567.18
Synonyms: None
SMILES: C(S[C@H](CCC1=C(C(C)(C)O)C=CC=C1)C2=CC(/C=C/C3=NC4=C(C=C3)C=CC(Cl)=C4)=CC=C2)C5(CC#N)CC5
Tpsa: 56.91
Logp: 9.38698
H Acceptors: 4
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:
C₃₅H₃₅ClN₂OS
Molecular Weight:
567.18
Synonyms:
None
SMILES:
C(S[C@H](CCC1=C(C(C)(C)O)C=CC=C1)C2=CC(/C=C/C3=NC4=C(C=C3)C=CC(Cl)=C4)=CC=C2)C5(CC#N)CC5
Tpsa:
56.91
Logp:
9.38698
H Acceptors:
4
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: C₁₉H₂₈I₂O
Molecular Weight: 526.23
Synonyms: None
SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)C(I)(I)CC4)[H])(CC=C1C[C@@H](O)CC2)[H])[H]
Tpsa: 20.23
Logp: 5.8764
H Acceptors: 1
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:
C₁₉H₂₈I₂O
Molecular Weight:
526.23
Synonyms:
None
SMILES:
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)C(I)(I)CC4)[H])(CC=C1C[C@@H](O)CC2)[H])[H]
Tpsa:
20.23
Logp:
5.8764
H Acceptors:
1
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: C₅H₈N₄OS
Molecular Weight: 172.21
Synonyms: None
SMILES: N=C(N)NC1=NC(=CS1)CO
Tpsa: 95.02
Logp: -0.05923
H Acceptors: 4
H Donors: 4
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₈N₄OS
Molecular Weight:
172.21
Synonyms:
None
SMILES:
N=C(N)NC1=NC(=CS1)CO
Tpsa:
95.02
Logp:
-0.05923
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₄F₆N₄O₂
Molecular Weight: 302.13
Synonyms: None
SMILES: O=C(NN(C(=O)C(F)(F)F)C1=NC=CN=C1)C(F)(F)F
Tpsa: 75.19
Logp: 0.9654
H Acceptors: 4
H Donors: 1
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:
C₈H₄F₆N₄O₂
Molecular Weight:
302.13
Synonyms:
None
SMILES:
O=C(NN(C(=O)C(F)(F)F)C1=NC=CN=C1)C(F)(F)F
Tpsa:
75.19
Logp:
0.9654
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1