CS-0008386
(3aS,12bR)-11-Chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one compound with (3aS,12bS)-11-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one(1:1)
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
C₃₄H₂₈Cl₂N₂O₄
Molecular Weight
599.50
Synonyms
None
SMILES
O=C1[C@@](C(C=C(Cl)C=C2)=C2OC3=C4C=CC=C3)([H])[C@]4([H])CN1C.O=C5[C@](C(C=C(Cl)C=C6)=C6OC7=C8C=CC=C7)([H])[C@]8([H])CN5C
Tpsa
59.08
Logp
7.5702
H Acceptors
4
H Donors
0
Rotatable Bonds
0
Other Options
...
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: C₃₄H₂₈Cl₂N₂O₄
Molecular Weight: 599.50
Synonyms: None
SMILES: O=C1[C@@](C(C=C(Cl)C=C2)=C2OC3=C4C=CC=C3)([H])[C@]4([H])CN1C.O=C5[C@](C(C=C(Cl)C=C6)=C6OC7=C8C=CC=C7)([H])[C@]8([H])CN5C
Tpsa: 59.08
Logp: 7.5702
H Acceptors: 4
H Donors: 0
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:
C₃₄H₂₈Cl₂N₂O₄
Molecular Weight:
599.50
Synonyms:
None
SMILES:
O=C1[C@@](C(C=C(Cl)C=C2)=C2OC3=C4C=CC=C3)([H])[C@]4([H])CN1C.O=C5[C@](C(C=C(Cl)C=C6)=C6OC7=C8C=CC=C7)([H])[C@]8([H])CN5C
Tpsa:
59.08
Logp:
7.5702
H Acceptors:
4
H Donors:
0
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: C₄₄H₄₄Cl₂N₆O₆
Molecular Weight: 823.76
Synonyms: None
SMILES: ClC1=NC=CC2=C1N(C=N2)[C@H]3[C@H]4[C@@H](C(COCC5=CC=CC=C5)=C3)OC(C)(C)O4.ClC6=NC=CC7=C6N=CN7[C@H]8[C@H]9[C@@H](C(COCC%10=CC=CC=C%10)=C8)OC(C)(C)O9
Tpsa: 116.8
Logp: 8.6054
H Acceptors: 12
H Donors: 0
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₄H₄₄Cl₂N₆O₆
Molecular Weight:
823.76
Synonyms:
None
SMILES:
ClC1=NC=CC2=C1N(C=N2)[C@H]3[C@H]4[C@@H](C(COCC5=CC=CC=C5)=C3)OC(C)(C)O4.ClC6=NC=CC7=C6N=CN7[C@H]8[C@H]9[C@@H](C(COCC%10=CC=CC=C%10)=C8)OC(C)(C)O9
Tpsa:
116.8
Logp:
8.6054
H Acceptors:
12
H Donors:
0
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₀O₄
Molecular Weight: 324.37
Synonyms: None
SMILES: OC1=CC=C(O)C2=C1CC=CC2.O=C(C=C3)C4C(CC=CC4)C3=O
Tpsa: 74.6
Logp: 3.0294
H Acceptors: 4
H Donors: 2
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:
C₂₀H₂₀O₄
Molecular Weight:
324.37
Synonyms:
None
SMILES:
OC1=CC=C(O)C2=C1CC=CC2.O=C(C=C3)C4C(CC=CC4)C3=O
Tpsa:
74.6
Logp:
3.0294
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
0
Purity: 98%
MDL No: MFCD05864601
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₁NO₄
Molecular Weight: 291.34
Synonyms: N-Cbz-RS-Cyclohexylglycine
SMILES: O=C(OCC1=CC=CC=C1)NC(C2CCCCC2)C(O)=O
Tpsa: 75.63
Logp: 2.9463
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
MFCD05864601
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₁NO₄
Molecular Weight:
291.34
Synonyms:
N-Cbz-RS-Cyclohexylglycine
SMILES:
O=C(OCC1=CC=CC=C1)NC(C2CCCCC2)C(O)=O
Tpsa:
75.63
Logp:
2.9463
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
5