CS-0112479
1-(tert-Butyl) 4-ethyl (3aR,4R,9bR)-8-bromo-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-1,4-dicarboxylate
Manufacturer: ChemScene
CAS Number: 1403605-06-0
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Purity
98%
MDL No
MFCD25562917
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₉H₂₅BrN₂O₄
Molecular Weight
425.32
Synonyms
(3aR,4R,9bR)-1-tert-butyl 4-ethyl 8-broMo-3,3a,4,5-tetrahydro-1H-pyrrolo[3,2-c]quinoline-1,4(2H,9bH)-dicarboxylate
SMILES
O=C(N1CC[C@]2([H])[C@H](C(OCC)=O)NC3=C(C=C(Br)C=C3)[C@@]21[H])OC(C)(C)C
Tpsa
67.87
Logp
4.1044
H Acceptors
5
H Donors
1
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1403605-06-0 | (3aR,4R,9bR)-1-tert-butyl 4-ethyl 8-broMo-3,3a,4,5-tetrahydro-1H-pyrrolo[3,2-c]quinoline-1,4(2H,9bH)-dicarboxylate | A2B Chem | -- |
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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: MFCD25562917
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₅BrN₂O₄
Molecular Weight: 425.32
Synonyms: (3aR,4R,9bR)-1-tert-butyl 4-ethyl 8-broMo-3,3a,4,5-tetrahydro-1H-pyrrolo[3,2-c]quinoline-1,4(2H,9bH)-dicarboxylate
SMILES: O=C(N1CC[C@]2([H])[C@H](C(OCC)=O)NC3=C(C=C(Br)C=C3)[C@@]21[H])OC(C)(C)C
Tpsa: 67.87
Logp: 4.1044
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD25562917
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₂₅BrN₂O₄
Molecular Weight:
425.32
Synonyms:
(3aR,4R,9bR)-1-tert-butyl 4-ethyl 8-broMo-3,3a,4,5-tetrahydro-1H-pyrrolo[3,2-c]quinoline-1,4(2H,9bH)-dicarboxylate
SMILES:
O=C(N1CC[C@]2([H])[C@H](C(OCC)=O)NC3=C(C=C(Br)C=C3)[C@@]21[H])OC(C)(C)C
Tpsa:
67.87
Logp:
4.1044
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
2
Purity: 96%
MDL No: MFCD30803440
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₅NO₄
Molecular Weight: 307.38
Synonyms: VibegronImpurity4
SMILES: O=C(N1C(C)(C)O[C@H](C2=CC=CC=C2)[C@H]1CO)OC(C)(C)C
Tpsa: 59
Logp: 3.092
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
96%
MDL No:
MFCD30803440
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₅NO₄
Molecular Weight:
307.38
Synonyms:
VibegronImpurity4
SMILES:
O=C(N1C(C)(C)O[C@H](C2=CC=CC=C2)[C@H]1CO)OC(C)(C)C
Tpsa:
59
Logp:
3.092
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: C₁₂H₁₇FN₂
Molecular Weight: 208.28
Synonyms: None
SMILES: CN1CC(C2=CC=C(F)C=C2)(N)CCC1
Tpsa: 29.26
Logp: 1.7053
H Acceptors: 2
H Donors: 1
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:
C₁₂H₁₇FN₂
Molecular Weight:
208.28
Synonyms:
None
SMILES:
CN1CC(C2=CC=C(F)C=C2)(N)CCC1
Tpsa:
29.26
Logp:
1.7053
H Acceptors:
2
H Donors:
1
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: C₈H₁₃NO₂
Molecular Weight: 155.19
Synonyms: None
SMILES: O=C(C=C)N1CCC(O)CC1
Tpsa: 40.54
Logp: 0.1557
H Acceptors: 2
H Donors: 1
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:
C₈H₁₃NO₂
Molecular Weight:
155.19
Synonyms:
None
SMILES:
O=C(C=C)N1CCC(O)CC1
Tpsa:
40.54
Logp:
0.1557
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1