CS-0179534
tert-Butyl 4-(2-cyano-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)-3,3-difluoropiperidine-1-carboxylate
Manufacturer: ChemScene
CAS Number: 2058321-97-2
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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
C₂₃H₃₁BF₂N₂O₅
Molecular Weight
464.31
Synonyms
None
SMILES
N#CC1=CC(B2OC(C)(C)C(C)(C)O2)=CC=C1OC3C(F)(F)CN(C(OC(C)(C)C)=O)CC3
Tpsa
81.02
Logp
3.88098
H Acceptors
6
H Donors
0
Rotatable Bonds
3
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: C₂₃H₃₁BF₂N₂O₅
Molecular Weight: 464.31
Synonyms: None
SMILES: N#CC1=CC(B2OC(C)(C)C(C)(C)O2)=CC=C1OC3C(F)(F)CN(C(OC(C)(C)C)=O)CC3
Tpsa: 81.02
Logp: 3.88098
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:
C₂₃H₃₁BF₂N₂O₅
Molecular Weight:
464.31
Synonyms:
None
SMILES:
N#CC1=CC(B2OC(C)(C)C(C)(C)O2)=CC=C1OC3C(F)(F)CN(C(OC(C)(C)C)=O)CC3
Tpsa:
81.02
Logp:
3.88098
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₃ClN₂O₂
Molecular Weight: 180.63
Synonyms: Ethyl 2-ethoxy-2-iminoacetate hydrochloride
SMILES: N=C(OCC)C(OCC)=N.[H]Cl
Tpsa: 66.16
Logp: 1.43574
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₃ClN₂O₂
Molecular Weight:
180.63
Synonyms:
Ethyl 2-ethoxy-2-iminoacetate hydrochloride
SMILES:
N=C(OCC)C(OCC)=N.[H]Cl
Tpsa:
66.16
Logp:
1.43574
H Acceptors:
4
H Donors:
2
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: C₉H₈ClN₃O₂
Molecular Weight: 225.63
Synonyms: Imidazo[1,5-a]pyrimidine-3-carboxylic acid, 4-chloro-, ethyl ester
SMILES: O=C(C1=C(Cl)N2C(N=C1)=CN=C2)OCC
Tpsa: 56.49
Logp: 1.5594
H Acceptors: 5
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:
C₉H₈ClN₃O₂
Molecular Weight:
225.63
Synonyms:
Imidazo[1,5-a]pyrimidine-3-carboxylic acid, 4-chloro-, ethyl ester
SMILES:
O=C(C1=C(Cl)N2C(N=C1)=CN=C2)OCC
Tpsa:
56.49
Logp:
1.5594
H Acceptors:
5
H Donors:
0
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: C₇H₁₀O
Molecular Weight: 110.15
Synonyms: 1-cyclobutylidene-propan-2-one
SMILES: CC(/C=C1CCC\1)=O
Tpsa: 17.07
Logp: 1.6857
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 1
Purity:
95+%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₀O
Molecular Weight:
110.15
Synonyms:
1-cyclobutylidene-propan-2-one
SMILES:
CC(/C=C1CCC\1)=O
Tpsa:
17.07
Logp:
1.6857
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
1