CS-1001456
Lubiprostone Impurity 13
Manufacturer: ChemScene
CAS Number: 1447733-80-3
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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
C₂₇H₃₆F₂O₅
Molecular Weight
478.57
Synonyms
None
SMILES
C(/C=C\CCCC(OCC1=CC=CC=C1)=O)[C@@H]2[C@@]3([C@](O[C@](C(CCCC)(F)F)(O)CC3)(CC2=O)[H])[H]
Tpsa
72.83
Logp
5.7447
H Acceptors
5
H Donors
1
Rotatable Bonds
12
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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: C₂₇H₃₆F₂O₅
Molecular Weight: 478.57
Synonyms: None
SMILES: C(/C=C\CCCC(OCC1=CC=CC=C1)=O)[C@@H]2[C@@]3([C@](O[C@](C(CCCC)(F)F)(O)CC3)(CC2=O)[H])[H]
Tpsa: 72.83
Logp: 5.7447
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₆F₂O₅
Molecular Weight:
478.57
Synonyms:
None
SMILES:
C(/C=C\CCCC(OCC1=CC=CC=C1)=O)[C@@H]2[C@@]3([C@](O[C@](C(CCCC)(F)F)(O)CC3)(CC2=O)[H])[H]
Tpsa:
72.83
Logp:
5.7447
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
12
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₂N₂OS
Molecular Weight: 338.47
Synonyms: None
SMILES: OC1(CN2C=3C=CC=CC3SC=4C=CC=CC42)CN5CCC1CC5
Tpsa: 26.71
Logp: 3.746
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₂N₂OS
Molecular Weight:
338.47
Synonyms:
None
SMILES:
OC1(CN2C=3C=CC=CC3SC=4C=CC=CC42)CN5CCC1CC5
Tpsa:
26.71
Logp:
3.746
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₁ClN₂S
Molecular Weight: 356.91
Synonyms: None
SMILES: ClC1(CN2C=3C=CC=CC3SC=4C=CC=CC42)CN5CCC1CC5
Tpsa: 6.48
Logp: 4.9925
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₁ClN₂S
Molecular Weight:
356.91
Synonyms:
None
SMILES:
ClC1(CN2C=3C=CC=CC3SC=4C=CC=CC42)CN5CCC1CC5
Tpsa:
6.48
Logp:
4.9925
H Acceptors:
3
H Donors:
0
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: C₁₃H₂₄N₆O₅
Molecular Weight: 344.37
Synonyms: None
SMILES: C([C@H](CCCNC(NN(=O)=O)=N)N)(=O)N1[C@@H](C(O)=O)C[C@H](C)CC1
Tpsa: 174.68
Logp: -0.88873
H Acceptors: 6
H Donors: 5
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₄N₆O₅
Molecular Weight:
344.37
Synonyms:
None
SMILES:
C([C@H](CCCNC(NN(=O)=O)=N)N)(=O)N1[C@@H](C(O)=O)C[C@H](C)CC1
Tpsa:
174.68
Logp:
-0.88873
H Acceptors:
6
H Donors:
5
Rotatable Bonds:
7