CS-0571521
1'-Benzyl-5-chloro-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one
Manufacturer: ChemScene
CAS Number: 644969-37-9
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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
C₁₉H₁₈ClNO₂
Molecular Weight
327.80
Synonyms
1'-benzyl-5-chloro-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one
SMILES
O=C1OC2(CCN(CC3=CC=CC=C3)CC2)C4=C1C=C(Cl)C=C4
Tpsa
29.54
Logp
4.0017
H Acceptors
3
H Donors
0
Rotatable Bonds
2
Related Products
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: C₁₉H₁₈ClNO₂
Molecular Weight: 327.80
Synonyms: 1'-benzyl-5-chloro-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one
SMILES: O=C1OC2(CCN(CC3=CC=CC=C3)CC2)C4=C1C=C(Cl)C=C4
Tpsa: 29.54
Logp: 4.0017
H Acceptors: 3
H Donors: 0
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:
C₁₉H₁₈ClNO₂
Molecular Weight:
327.80
Synonyms:
1'-benzyl-5-chloro-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one
SMILES:
O=C1OC2(CCN(CC3=CC=CC=C3)CC2)C4=C1C=C(Cl)C=C4
Tpsa:
29.54
Logp:
4.0017
H Acceptors:
3
H Donors:
0
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: C₁₂H₁₇N₃O₄
Molecular Weight: 267.28
Synonyms: ethyl 5-boc-aminopyrazine-2-carboxylate
SMILES: CCOC(=O)C1=CN=C(C=N1)NC(=O)OC(C)(C)C
Tpsa: 90.41
Logp: 2.0003
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₇N₃O₄
Molecular Weight:
267.28
Synonyms:
ethyl 5-boc-aminopyrazine-2-carboxylate
SMILES:
CCOC(=O)C1=CN=C(C=N1)NC(=O)OC(C)(C)C
Tpsa:
90.41
Logp:
2.0003
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₉NO₆
Molecular Weight: 251.19
Synonyms: (E)-methyl 3-(6-nitrobenzo[d][1,3]dioxol-5-yl)acrylate
SMILES: O=C(OC)/C=C/C1=C([N+]([O-])=O)C=C(OCO2)C2=C1
Tpsa: 87.9
Logp: 1.5097
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₉NO₆
Molecular Weight:
251.19
Synonyms:
(E)-methyl 3-(6-nitrobenzo[d][1,3]dioxol-5-yl)acrylate
SMILES:
O=C(OC)/C=C/C1=C([N+]([O-])=O)C=C(OCO2)C2=C1
Tpsa:
87.9
Logp:
1.5097
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₄BrNOS
Molecular Weight: 206.06
Synonyms: 1-(4-Bromo-isothiazol-5-yl)-ethanone
SMILES: CC(=O)C1=C(C=NS1)Br
Tpsa: 29.96
Logp: 2.1082
H Acceptors: 3
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:
C₅H₄BrNOS
Molecular Weight:
206.06
Synonyms:
1-(4-Bromo-isothiazol-5-yl)-ethanone
SMILES:
CC(=O)C1=C(C=NS1)Br
Tpsa:
29.96
Logp:
2.1082
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1