CS-0819105
(S)-3-Acetamido-2-((1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)carbamoyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 2096492-41-8
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₂H₂₆N₂O₈S
Molecular Weight
478.52
Synonyms
None
SMILES
O=C(C1=C(NC(C)=O)C=CC=C1C(O)=O)N[C@H](CS(=O)(C)=O)C2=CC(OCC)=C(OC)C=C2
Tpsa
148.1
Logp
2.2662
H Acceptors
7
H Donors
3
Rotatable Bonds
10
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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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₆N₂O₈S
Molecular Weight: 478.52
Synonyms: None
SMILES: O=C(C1=C(NC(C)=O)C=CC=C1C(O)=O)N[C@H](CS(=O)(C)=O)C2=CC(OCC)=C(OC)C=C2
Tpsa: 148.1
Logp: 2.2662
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 10
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₆N₂O₈S
Molecular Weight:
478.52
Synonyms:
None
SMILES:
O=C(C1=C(NC(C)=O)C=CC=C1C(O)=O)N[C@H](CS(=O)(C)=O)C2=CC(OCC)=C(OC)C=C2
Tpsa:
148.1
Logp:
2.2662
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
10
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₃NO₂S
Molecular Weight: 211.28
Synonyms: None
SMILES: O=S(N1C[C@H]1C)(C2=CC=C(C)C=C2)=O
Tpsa: 37.15
Logp: 1.38782
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₃NO₂S
Molecular Weight:
211.28
Synonyms:
None
SMILES:
O=S(N1C[C@H]1C)(C2=CC=C(C)C=C2)=O
Tpsa:
37.15
Logp:
1.38782
H Acceptors:
2
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: C₁₀H₉BrO
Molecular Weight: 225.08
Synonyms: None
SMILES: BrCCC1=CC=C(OC=C2)C2=C1
Tpsa: 13.14
Logp: 3.3702
H Acceptors: 1
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:
C₁₀H₉BrO
Molecular Weight:
225.08
Synonyms:
None
SMILES:
BrCCC1=CC=C(OC=C2)C2=C1
Tpsa:
13.14
Logp:
3.3702
H Acceptors:
1
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: C₁₅H₂₀ClN₅O₃
Molecular Weight: 353.80
Synonyms: None
SMILES: NC1=NC(N2CCN(C=O)CC2)=NC3=C1C=C(OC)C(OC)=C3.Cl
Tpsa: 93.81
Logp: 0.9294
H Acceptors: 7
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:
C₁₅H₂₀ClN₅O₃
Molecular Weight:
353.80
Synonyms:
None
SMILES:
NC1=NC(N2CCN(C=O)CC2)=NC3=C1C=C(OC)C(OC)=C3.Cl
Tpsa:
93.81
Logp:
0.9294
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
4