CS-1136814
Imidodicarbonic acid, N-[3,6-difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-, C,C′-bis(1,1-dimethylethyl) ester
Manufacturer: ChemScene
CAS Number: 3041032-42-9
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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
C₂₁H₃₁BF₂N₂O₆
Molecular Weight
456.29
Synonyms
None
SMILES
O=C(OC(C)(C)C)N(C1=NC(F)=C(B2OC(C)(C)C(C)(C)O2)C=C1F)C(OC(C)(C)C)=O
Tpsa
87.19
Logp
4.3356
H Acceptors
7
H Donors
0
Rotatable Bonds
2
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: C₂₁H₃₁BF₂N₂O₆
Molecular Weight: 456.29
Synonyms: None
SMILES: O=C(OC(C)(C)C)N(C1=NC(F)=C(B2OC(C)(C)C(C)(C)O2)C=C1F)C(OC(C)(C)C)=O
Tpsa: 87.19
Logp: 4.3356
H Acceptors: 7
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:
C₂₁H₃₁BF₂N₂O₆
Molecular Weight:
456.29
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N(C1=NC(F)=C(B2OC(C)(C)C(C)(C)O2)C=C1F)C(OC(C)(C)C)=O
Tpsa:
87.19
Logp:
4.3356
H Acceptors:
7
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: C₂₂H₃₀N₂O₅
Molecular Weight: 402.48
Synonyms: None
SMILES: O=C(N1CC2(CN(CC3=CC=C(OC)C=C3)C(CC2=O)=O)CCC1)OC(C)(C)C
Tpsa: 76.15
Logp: 3.0139
H Acceptors: 5
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:
C₂₂H₃₀N₂O₅
Molecular Weight:
402.48
Synonyms:
None
SMILES:
O=C(N1CC2(CN(CC3=CC=C(OC)C=C3)C(CC2=O)=O)CCC1)OC(C)(C)C
Tpsa:
76.15
Logp:
3.0139
H Acceptors:
5
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: C₉H₁₀BrNO
Molecular Weight: 228.09
Synonyms: None
SMILES: CC(CC1=NC=C(Br)C(C)=C1)=O
Tpsa: 29.96
Logp: 2.28402
H Acceptors: 2
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:
C₉H₁₀BrNO
Molecular Weight:
228.09
Synonyms:
None
SMILES:
CC(CC1=NC=C(Br)C(C)=C1)=O
Tpsa:
29.96
Logp:
2.28402
H Acceptors:
2
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: C₃₁H₂₈NO₂P
Molecular Weight: 477.53
Synonyms: None
SMILES: CN(C)P1OC2=C(C3=CC=CC=C3)C=CC4=C2C(CC4)(CC5)C6=C5C=CC(C7=CC=CC=C7)=C6O1
Tpsa: 21.7
Logp: 7.7588
H Acceptors: 3
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:
C₃₁H₂₈NO₂P
Molecular Weight:
477.53
Synonyms:
None
SMILES:
CN(C)P1OC2=C(C3=CC=CC=C3)C=CC4=C2C(CC4)(CC5)C6=C5C=CC(C7=CC=CC=C7)=C6O1
Tpsa:
21.7
Logp:
7.7588
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3