CS-0806572
(3-(N-(1-(Cyclohexylamino)-3-methyl-1-oxobutan-2-yl)acetamido)-5-(isopropylcarbamoyl)phenyl)boronic acid
Manufacturer: ChemScene
CAS Number: 397843-94-6
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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
C₂₃H₃₆BN₃O₅
Molecular Weight
445.36
Synonyms
None
SMILES
B(C1=CC(=CC(=C1)N(C(C(C)C)C(=O)NC2CCCCC2)C(=O)C)C(=O)NC(C)C)(O)O
Tpsa
118.97
Logp
1.331
H Acceptors
5
H Donors
4
Rotatable Bonds
8
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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: C₂₃H₃₆BN₃O₅
Molecular Weight: 445.36
Synonyms: None
SMILES: B(C1=CC(=CC(=C1)N(C(C(C)C)C(=O)NC2CCCCC2)C(=O)C)C(=O)NC(C)C)(O)O
Tpsa: 118.97
Logp: 1.331
H Acceptors: 5
H Donors: 4
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₆BN₃O₅
Molecular Weight:
445.36
Synonyms:
None
SMILES:
B(C1=CC(=CC(=C1)N(C(C(C)C)C(=O)NC2CCCCC2)C(=O)C)C(=O)NC(C)C)(O)O
Tpsa:
118.97
Logp:
1.331
H Acceptors:
5
H Donors:
4
Rotatable Bonds:
8
Purity: 98%
MDL No: MFCD14687173
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₃BFNO₂
Molecular Weight: 197.01
Synonyms: None
SMILES: FC1=CC=C(CN(C)C)C=C1B(O)O
Tpsa: 43.7
Logp: -0.4329
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD14687173
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₃BFNO₂
Molecular Weight:
197.01
Synonyms:
None
SMILES:
FC1=CC=C(CN(C)C)C=C1B(O)O
Tpsa:
43.7
Logp:
-0.4329
H Acceptors:
3
H Donors:
2
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: C₆H₅FN₂O₃S
Molecular Weight: 204.18
Synonyms: None
SMILES: CSC1=NC(=C(C(=O)N1)F)C(=O)O
Tpsa: 83.05
Logp: 0.3291
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:
C₆H₅FN₂O₃S
Molecular Weight:
204.18
Synonyms:
None
SMILES:
CSC1=NC(=C(C(=O)N1)F)C(=O)O
Tpsa:
83.05
Logp:
0.3291
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: C₁₅H₁₇BN₂O₄
Molecular Weight: 300.12
Synonyms: None
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)N=CC=C3[N+](=O)[O-]
Tpsa: 74.49
Logp: 2.4422
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:
C₁₅H₁₇BN₂O₄
Molecular Weight:
300.12
Synonyms:
None
SMILES:
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)N=CC=C3[N+](=O)[O-]
Tpsa:
74.49
Logp:
2.4422
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2