CS-1002752
Beraprost Impurity 56
Manufacturer: ChemScene
CAS Number: 220945-56-2
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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
C₂₇H₃₄O₆
Molecular Weight
454.56
Synonyms
None
SMILES
C(=C/[C@@H](C(CC#CC)C)O)\[C@@H]1[C@]2(C=3C(O[C@]2(C[C@H]1OC(C)=O)[H])=C(CCCC(OC)=O)C=CC3)[H]
Tpsa
82.06
Logp
3.9451
H Acceptors
6
H Donors
1
Rotatable Bonds
9
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: C₂₇H₃₄O₆
Molecular Weight: 454.56
Synonyms: None
SMILES: C(=C/[C@@H](C(CC#CC)C)O)\[C@@H]1[C@]2(C=3C(O[C@]2(C[C@H]1OC(C)=O)[H])=C(CCCC(OC)=O)C=CC3)[H]
Tpsa: 82.06
Logp: 3.9451
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₄O₆
Molecular Weight:
454.56
Synonyms:
None
SMILES:
C(=C/[C@@H](C(CC#CC)C)O)\[C@@H]1[C@]2(C=3C(O[C@]2(C[C@H]1OC(C)=O)[H])=C(CCCC(OC)=O)C=CC3)[H]
Tpsa:
82.06
Logp:
3.9451
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₄O₅
Molecular Weight: 320.38
Synonyms: None
SMILES: C(C1=CC=C(C(C(OC[C@H](CO)O)=O)C)C=C1)C2C(=O)CCC2
Tpsa: 83.83
Logp: 1.5982
H Acceptors: 5
H Donors: 2
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:
C₁₈H₂₄O₅
Molecular Weight:
320.38
Synonyms:
None
SMILES:
C(C1=CC=C(C(C(OC[C@H](CO)O)=O)C)C=C1)C2C(=O)CCC2
Tpsa:
83.83
Logp:
1.5982
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
7
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₄N₂O
Molecular Weight: 214.26
Synonyms: None
SMILES: O=C1C(C(=NN1C=2C=CC=CC2)C)=C(C)C
Tpsa: 32.67
Logp: 2.7455
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₄N₂O
Molecular Weight:
214.26
Synonyms:
None
SMILES:
O=C1C(C(=NN1C=2C=CC=CC2)C)=C(C)C
Tpsa:
32.67
Logp:
2.7455
H Acceptors:
2
H Donors:
0
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: C₁₉H₂₉ClN₂O
Molecular Weight: 336.90
Synonyms: None
SMILES: Cl.O=C1NC2=CC=CC(=C2C1=CCC)CCN(CCC)CCC
Tpsa: 32.34
Logp: 4.5184
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₂₉ClN₂O
Molecular Weight:
336.90
Synonyms:
None
SMILES:
Cl.O=C1NC2=CC=CC(=C2C1=CCC)CCN(CCC)CCC
Tpsa:
32.34
Logp:
4.5184
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
8