CS-1002862
4-[3-(Hydroxymethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]benzonitrile
Manufacturer: ChemScene
CAS Number: 2250222-38-7
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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
C₂₀H₂₂BNO₄
Molecular Weight
351.20
Synonyms
None
SMILES
N#CC1=CC=C(OC2=CC=C(B3OC(C)(C)C(O3)(C)C)C(=C2)CO)C=C1
Tpsa
71.71
Logp
3.14208
H Acceptors
5
H Donors
1
Rotatable Bonds
4
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₂₀H₂₂BNO₄
Molecular Weight: 351.20
Synonyms: None
SMILES: N#CC1=CC=C(OC2=CC=C(B3OC(C)(C)C(O3)(C)C)C(=C2)CO)C=C1
Tpsa: 71.71
Logp: 3.14208
H Acceptors: 5
H Donors: 1
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:
C₂₀H₂₂BNO₄
Molecular Weight:
351.20
Synonyms:
None
SMILES:
N#CC1=CC=C(OC2=CC=C(B3OC(C)(C)C(O3)(C)C)C(=C2)CO)C=C1
Tpsa:
71.71
Logp:
3.14208
H Acceptors:
5
H Donors:
1
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: C₃₄H₃₈N₂O₇
Molecular Weight: 586.67
Synonyms: None
SMILES: C([C@@H](CNC(OC(C)(C)C)=O)C1=CC=C(COC(=O)C2=C(C)C=C(C)C=C2)C=C1)(=O)N3[C@H](CC4=CC=CC=C4)COC3=O
Tpsa: 111.24
Logp: 5.85884
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₄H₃₈N₂O₇
Molecular Weight:
586.67
Synonyms:
None
SMILES:
C([C@@H](CNC(OC(C)(C)C)=O)C1=CC=C(COC(=O)C2=C(C)C=C(C)C=C2)C=C1)(=O)N3[C@H](CC4=CC=CC=C4)COC3=O
Tpsa:
111.24
Logp:
5.85884
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₆N₂O₃
Molecular Weight: 284.31
Synonyms: None
SMILES: O=C(C=1C=CC=CC1)CNCCC2=CC=C(C=C2)N(=O)=O
Tpsa: 72.24
Logp: 2.6098
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₆N₂O₃
Molecular Weight:
284.31
Synonyms:
None
SMILES:
O=C(C=1C=CC=CC1)CNCCC2=CC=C(C=C2)N(=O)=O
Tpsa:
72.24
Logp:
2.6098
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₀N₄O₄
Molecular Weight: 308.33
Synonyms: None
SMILES: O=C(OC(C)(C)C)N1CCN(C=2C=NC=C(C2)N(=O)=O)CC1
Tpsa: 88.81
Logp: 2.0469
H Acceptors: 6
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:
C₁₄H₂₀N₄O₄
Molecular Weight:
308.33
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N1CCN(C=2C=NC=C(C2)N(=O)=O)CC1
Tpsa:
88.81
Logp:
2.0469
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
2