CS-1087521
3-Benzyl 1-(tert-butyl) 5-(iodomethyl)-3-azabicyclo[3.1.1]heptane-1,3-dicarboxylate
Manufacturer: ChemScene
CAS Number: 2940953-94-4
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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
C₂₀H₂₆INO₄
Molecular Weight
471.33
Synonyms
None
SMILES
O=C(OCC=1C=CC=CC1)N2CC3(C(=O)OC(C)(C)C)CC(CI)(C2)C3
Tpsa
55.84
Logp
4.1821
H Acceptors
4
H Donors
0
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: C₂₀H₂₆INO₄
Molecular Weight: 471.33
Synonyms: None
SMILES: O=C(OCC=1C=CC=CC1)N2CC3(C(=O)OC(C)(C)C)CC(CI)(C2)C3
Tpsa: 55.84
Logp: 4.1821
H Acceptors: 4
H Donors: 0
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:
C₂₀H₂₆INO₄
Molecular Weight:
471.33
Synonyms:
None
SMILES:
O=C(OCC=1C=CC=CC1)N2CC3(C(=O)OC(C)(C)C)CC(CI)(C2)C3
Tpsa:
55.84
Logp:
4.1821
H Acceptors:
4
H Donors:
0
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: C₁₁H₁₁BrO₂S
Molecular Weight: 287.17
Synonyms: None
SMILES: O=C1C=2C=C(Br)SC2C3(OC1)CCCC3
Tpsa: 26.3
Logp: 3.4928
H Acceptors: 3
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:
C₁₁H₁₁BrO₂S
Molecular Weight:
287.17
Synonyms:
None
SMILES:
O=C1C=2C=C(Br)SC2C3(OC1)CCCC3
Tpsa:
26.3
Logp:
3.4928
H Acceptors:
3
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: C₁₁H₁₃NO₂S
Molecular Weight: 223.29
Synonyms: None
SMILES: O=S1(=O)NCC2=CC=C(C=C2C31CC3)C
Tpsa: 46.17
Logp: 1.41712
H Acceptors: 2
H Donors: 1
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:
C₁₁H₁₃NO₂S
Molecular Weight:
223.29
Synonyms:
None
SMILES:
O=S1(=O)NCC2=CC=C(C=C2C31CC3)C
Tpsa:
46.17
Logp:
1.41712
H Acceptors:
2
H Donors:
1
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: C₅H₁₂ClF₂N
Molecular Weight: 159.61
Synonyms: None
SMILES: CC(N)(C)CC(F)F.Cl
Tpsa: 26.02
Logp: 1.8007
H Acceptors: 1
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:
C₅H₁₂ClF₂N
Molecular Weight:
159.61
Synonyms:
None
SMILES:
CC(N)(C)CC(F)F.Cl
Tpsa:
26.02
Logp:
1.8007
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2