CS-0140197
(S)-3-(Benzyloxy)-2-methoxy-7,12-dihydrobenzo[5,6][1,4]diazepino[1,2-b]isoquinoline-6,14(5H,6aH)-dione
Manufacturer: ChemScene
CAS Number: 1964489-88-0
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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
C₂₅H₂₂N₂O₄
Molecular Weight
414.45
Synonyms
None
SMILES
O=C1NC2=CC(OCC3=CC=CC=C3)=C(OC)C=C2C(N4CC5=C(C=CC=C5)C[C@]41[H])=O
Tpsa
67.87
Logp
3.7934
H Acceptors
4
H Donors
1
Rotatable Bonds
4
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: C₂₅H₂₂N₂O₄
Molecular Weight: 414.45
Synonyms: None
SMILES: O=C1NC2=CC(OCC3=CC=CC=C3)=C(OC)C=C2C(N4CC5=C(C=CC=C5)C[C@]41[H])=O
Tpsa: 67.87
Logp: 3.7934
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₂N₂O₄
Molecular Weight:
414.45
Synonyms:
None
SMILES:
O=C1NC2=CC(OCC3=CC=CC=C3)=C(OC)C=C2C(N4CC5=C(C=CC=C5)C[C@]41[H])=O
Tpsa:
67.87
Logp:
3.7934
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₃₀N₂O₅Si
Molecular Weight: 454.59
Synonyms: None
SMILES: O=C1N(COCC[Si](C)(C)C)C2=CC(O)=C(OC)C=C2C(N3CC4=C(C=CC=C4)C[C@]31[H])=O
Tpsa: 79.31
Logp: 3.6268
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₃₀N₂O₅Si
Molecular Weight:
454.59
Synonyms:
None
SMILES:
O=C1N(COCC[Si](C)(C)C)C2=CC(O)=C(OC)C=C2C(N3CC4=C(C=CC=C4)C[C@]31[H])=O
Tpsa:
79.31
Logp:
3.6268
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
6
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₆ClNO₂
Molecular Weight: 241.71
Synonyms: (S)-Ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride
SMILES: O=C([C@H]1NCC2=C(C=CC=C2)C1)OCC.[H]Cl
Tpsa: 38.33
Logp: 1.6858
H Acceptors: 3
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:
C₁₂H₁₆ClNO₂
Molecular Weight:
241.71
Synonyms:
(S)-Ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride
SMILES:
O=C([C@H]1NCC2=C(C=CC=C2)C1)OCC.[H]Cl
Tpsa:
38.33
Logp:
1.6858
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 97%
MDL No: MFCD04035517
Storage: -20°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₅NO₂
Molecular Weight: 205.25
Synonyms: R-ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
SMILES: O=C(C1NCC2=C(C=CC=C2)C1)OCC
Tpsa: 38.33
Logp: 1.264
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
MFCD04035517
Storage:
-20°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₅NO₂
Molecular Weight:
205.25
Synonyms:
R-ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
SMILES:
O=C(C1NCC2=C(C=CC=C2)C1)OCC
Tpsa:
38.33
Logp:
1.264
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2