CS-0179530
Methyl 2-bromo-5-fluoro-3-((4-methylphenyl)sulfonamido)benzoate
Manufacturer: ChemScene
CAS Number: 2086689-91-8
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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
C₁₅H₁₃BrFNO₄S
Molecular Weight
402.24
Synonyms
None
SMILES
O=C(OC)C1=CC(F)=CC(NS(=O)(C2=CC=C(C)C=C2)=O)=C1Br
Tpsa
72.47
Logp
3.48402
H Acceptors
4
H Donors
1
Rotatable Bonds
4
Related Products
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: C₁₅H₁₃BrFNO₄S
Molecular Weight: 402.24
Synonyms: None
SMILES: O=C(OC)C1=CC(F)=CC(NS(=O)(C2=CC=C(C)C=C2)=O)=C1Br
Tpsa: 72.47
Logp: 3.48402
H Acceptors: 4
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:
C₁₅H₁₃BrFNO₄S
Molecular Weight:
402.24
Synonyms:
None
SMILES:
O=C(OC)C1=CC(F)=CC(NS(=O)(C2=CC=C(C)C=C2)=O)=C1Br
Tpsa:
72.47
Logp:
3.48402
H Acceptors:
4
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: C₁₂H₆F₃N₃O₂
Molecular Weight: 281.19
Synonyms: Berotralstat Related Compound 1
SMILES: O=C(C1=CC(C(F)(F)F)=NN1C2=CC=CC(C#N)=C2)O
Tpsa: 78.91
Logp: 2.46098
H Acceptors: 4
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:
C₁₂H₆F₃N₃O₂
Molecular Weight:
281.19
Synonyms:
Berotralstat Related Compound 1
SMILES:
O=C(C1=CC(C(F)(F)F)=NN1C2=CC=CC(C#N)=C2)O
Tpsa:
78.91
Logp:
2.46098
H Acceptors:
4
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: C₁₇H₁₆Cl₂N₂O₃
Molecular Weight: 367.23
Synonyms: None
SMILES: O=C(OC)[C@H](CC1=CC=C(N)C=C1)NC(C2=C(Cl)C=CC=C2Cl)=O
Tpsa: 81.42
Logp: 3.0897
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₆Cl₂N₂O₃
Molecular Weight:
367.23
Synonyms:
None
SMILES:
O=C(OC)[C@H](CC1=CC=C(N)C=C1)NC(C2=C(Cl)C=CC=C2Cl)=O
Tpsa:
81.42
Logp:
3.0897
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
5
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