CS-0146468
(S)-N-((S)-2-Amino-1-(3-bromo-5-fluorophenyl)ethyl)-2-methylpropane-2-sulfinamide
Manufacturer: ChemScene
CAS Number: 1715032-47-5
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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
C₁₂H₁₈BrFN₂OS
Molecular Weight
337.25
Synonyms
None
SMILES
NC[C@H](C1=CC(F)=CC(Br)=C1)N[S@](C(C)(C)C)=O
Tpsa
55.12
Logp
2.6398
H Acceptors
2
H Donors
2
Rotatable Bonds
4
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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: C₁₂H₁₈BrFN₂OS
Molecular Weight: 337.25
Synonyms: None
SMILES: NC[C@H](C1=CC(F)=CC(Br)=C1)N[S@](C(C)(C)C)=O
Tpsa: 55.12
Logp: 2.6398
H Acceptors: 2
H Donors: 2
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:
C₁₂H₁₈BrFN₂OS
Molecular Weight:
337.25
Synonyms:
None
SMILES:
NC[C@H](C1=CC(F)=CC(Br)=C1)N[S@](C(C)(C)C)=O
Tpsa:
55.12
Logp:
2.6398
H Acceptors:
2
H Donors:
2
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: C₁₈H₂₁BrFN₃O₅S₂
Molecular Weight: 522.41
Synonyms: None
SMILES: O=S(C1=CC=CC=C1[N+]([O-])=O)(NC[C@H](C2=CC(F)=CC(Br)=C2)N[S@](C(C)(C)C)=O)=O
Tpsa: 118.41
Logp: 3.5678
H Acceptors: 5
H Donors: 2
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:
C₁₈H₂₁BrFN₃O₅S₂
Molecular Weight:
522.41
Synonyms:
None
SMILES:
O=S(C1=CC=CC=C1[N+]([O-])=O)(NC[C@H](C2=CC(F)=CC(Br)=C2)N[S@](C(C)(C)C)=O)=O
Tpsa:
118.41
Logp:
3.5678
H Acceptors:
5
H Donors:
2
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: C₁₉H₂₁BrFN₃O₆S
Molecular Weight: 518.35
Synonyms: Carbamic acid, N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-[[(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)CNS(=O)(C2=CC=CC=C2[N+]([O-])=O)=O
Tpsa: 127.64
Logp: 4.0407
H Acceptors: 6
H Donors: 2
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:
C₁₉H₂₁BrFN₃O₆S
Molecular Weight:
518.35
Synonyms:
Carbamic acid, N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-[[(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)CNS(=O)(C2=CC=CC=C2[N+]([O-])=O)=O
Tpsa:
127.64
Logp:
4.0407
H Acceptors:
6
H Donors:
2
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:
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