CS-0011971
(3S,5R,6S,8R)-8-Allyl-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-isopropyl-8-methyl-2,3,5,6,7,8-hexahydrooxazolo[3,2-a]pyridin-4-ium trifluoromethanesulfonate
Manufacturer: ChemScene
CAS Number: None
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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
C₂₇H₃₀Cl₂F₃NO₄S
Molecular Weight
592.50
Synonyms
None
SMILES
C[C@]1(CC=C)C(OC[C@@H]2C(C)C)=[N+]2[C@@H](C3=CC=C(Cl)C=C3)[C@H](C4=CC=CC(Cl)=C4)C1.O=S(C(F)(F)F)([O-])=O
Tpsa
69.44
Logp
7.3216
H Acceptors
4
H Donors
0
Rotatable Bonds
5
Other Options
...
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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: C₂₇H₃₀Cl₂F₃NO₄S
Molecular Weight: 592.50
Synonyms: None
SMILES: C[C@]1(CC=C)C(OC[C@@H]2C(C)C)=[N+]2[C@@H](C3=CC=C(Cl)C=C3)[C@H](C4=CC=CC(Cl)=C4)C1.O=S(C(F)(F)F)([O-])=O
Tpsa: 69.44
Logp: 7.3216
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₀Cl₂F₃NO₄S
Molecular Weight:
592.50
Synonyms:
None
SMILES:
C[C@]1(CC=C)C(OC[C@@H]2C(C)C)=[N+]2[C@@H](C3=CC=C(Cl)C=C3)[C@H](C4=CC=CC(Cl)=C4)C1.O=S(C(F)(F)F)([O-])=O
Tpsa:
69.44
Logp:
7.3216
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₃₇Cl₂NO₃S
Molecular Weight: 550.58
Synonyms: None
SMILES: O=C1N([C@@H](C(C)C)CS(=O)(C(C)C)=O)[C@@H](C2=CC=C(Cl)C=C2)[C@H](C3=CC=CC(Cl)=C3)C[C@]1(CC=C)C
Tpsa: 54.45
Logp: 7.4808
H Acceptors: 3
H Donors: 0
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:
C₂₉H₃₇Cl₂NO₃S
Molecular Weight:
550.58
Synonyms:
None
SMILES:
O=C1N([C@@H](C(C)C)CS(=O)(C(C)C)=O)[C@@H](C2=CC=C(Cl)C=C2)[C@H](C3=CC=CC(Cl)=C3)C[C@]1(CC=C)C
Tpsa:
54.45
Logp:
7.4808
H Acceptors:
3
H Donors:
0
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: C₁₀H₉ClN₄O
Molecular Weight: 236.66
Synonyms: None
SMILES: O=C(C1CC1)NC2=CN3N=C(Cl)C=CC3=N2
Tpsa: 59.29
Logp: 1.7312
H Acceptors: 4
H Donors: 1
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:
C₁₀H₉ClN₄O
Molecular Weight:
236.66
Synonyms:
None
SMILES:
O=C(C1CC1)NC2=CN3N=C(Cl)C=CC3=N2
Tpsa:
59.29
Logp:
1.7312
H Acceptors:
4
H Donors:
1
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: C₁₂H₁₇NO₃
Molecular Weight: 223.27
Synonyms: None
SMILES: CC1=C(NC(OC(C)(C)C)=O)C=C(O)C=C1
Tpsa: 58.56
Logp: 3.04762
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:
C₁₂H₁₇NO₃
Molecular Weight:
223.27
Synonyms:
None
SMILES:
CC1=C(NC(OC(C)(C)C)=O)C=C(O)C=C1
Tpsa:
58.56
Logp:
3.04762
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1