CS-0146472
tert-Butyl (S)-(1-(3-bromo-5-fluorophenyl)-2-((N-methyl-2-nitrophenyl)sulfonamido)ethyl)carbamate
Manufacturer: ChemScene
CAS Number: 1715032-60-2
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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
C₂₀H₂₃BrFN₃O₆S
Molecular Weight
532.38
Synonyms
Carbamic acid, N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-[methyl[(2-nitrophenyl)sulfonyl]amino]ethyl]-, 1,1-dimethylethyl ester
SMILES
O=C(OC(C)(C)C)N[C@@H](C1=CC(F)=CC(Br)=C1)CN(C)S(=O)(C2=CC=CC=C2[N+]([O-])=O)=O
Tpsa
118.85
Logp
4.3829
H Acceptors
6
H Donors
1
Rotatable Bonds
7
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: C₂₀H₂₃BrFN₃O₆S
Molecular Weight: 532.38
Synonyms: Carbamic acid, N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-[methyl[(2-nitrophenyl)sulfonyl]amino]ethyl]-, 1,1-dimethylethyl ester
SMILES: O=C(OC(C)(C)C)N[C@@H](C1=CC(F)=CC(Br)=C1)CN(C)S(=O)(C2=CC=CC=C2[N+]([O-])=O)=O
Tpsa: 118.85
Logp: 4.3829
H Acceptors: 6
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:
C₂₀H₂₃BrFN₃O₆S
Molecular Weight:
532.38
Synonyms:
Carbamic acid, N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-[methyl[(2-nitrophenyl)sulfonyl]amino]ethyl]-, 1,1-dimethylethyl ester
SMILES:
O=C(OC(C)(C)C)N[C@@H](C1=CC(F)=CC(Br)=C1)CN(C)S(=O)(C2=CC=CC=C2[N+]([O-])=O)=O
Tpsa:
118.85
Logp:
4.3829
H Acceptors:
6
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: C₁₅H₁₅BrFN₃O₄S
Molecular Weight: 432.26
Synonyms: None
SMILES: O=S(C1=CC=CC=C1[N+]([O-])=O)(N(C[C@@H](N)C2=CC(F)=CC(Br)=C2)C)=O
Tpsa: 106.54
Logp: 2.8169
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₅BrFN₃O₄S
Molecular Weight:
432.26
Synonyms:
None
SMILES:
O=S(C1=CC=CC=C1[N+]([O-])=O)(N(C[C@@H](N)C2=CC(F)=CC(Br)=C2)C)=O
Tpsa:
106.54
Logp:
2.8169
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
6
Purity: 96%
MDL No: None
Storage: 4°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₇F₂N₃O₃
Molecular Weight: 349.33
Synonyms: 4-(3-amino-6-((1S,3S,4S)-3-fluoro-4-hydroxycyclohexyl)pyrazin-2-yl)-2-fluoro benzoic acid
SMILES: O=C(O)C1=CC=C(C2=NC([C@@H]3C[C@H](F)[C@@H](O)CC3)=CN=C2N)C=C1F
Tpsa: 109.33
Logp: 2.5296
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 3
Purity:
96%
MDL No:
None
Storage:
4°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₇F₂N₃O₃
Molecular Weight:
349.33
Synonyms:
4-(3-amino-6-((1S,3S,4S)-3-fluoro-4-hydroxycyclohexyl)pyrazin-2-yl)-2-fluoro benzoic acid
SMILES:
O=C(O)C1=CC=C(C2=NC([C@@H]3C[C@H](F)[C@@H](O)CC3)=CN=C2N)C=C1F
Tpsa:
109.33
Logp:
2.5296
H Acceptors:
5
H Donors:
3
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: C₃₂H₃₀BrF₃N₆O₆S
Molecular Weight: 763.58
Synonyms: None
SMILES: O=C(N[C@@H](C1=CC(F)=CC(Br)=C1)CN(C)S(=O)(C2=CC=CC=C2[N+]([O-])=O)=O)C3=CC=C(C4=NC([C@@H]5C[C@H](F)[C@@H](O)CC5)=CN=C4N)C=C3F
Tpsa: 181.65
Logp: 5.433
H Acceptors: 9
H Donors: 3
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₀BrF₃N₆O₆S
Molecular Weight:
763.58
Synonyms:
None
SMILES:
O=C(N[C@@H](C1=CC(F)=CC(Br)=C1)CN(C)S(=O)(C2=CC=CC=C2[N+]([O-])=O)=O)C3=CC=C(C4=NC([C@@H]5C[C@H](F)[C@@H](O)CC5)=CN=C4N)C=C3F
Tpsa:
181.65
Logp:
5.433
H Acceptors:
9
H Donors:
3
Rotatable Bonds:
10