CS-1001169
Ethyl 2-[[(2'-cyano[1,1'-biphenyl]-4-yl)methyl][(1,1-dimethylethoxy)carbonyl]amino]-3-nitrobenzoate
Manufacturer: ChemScene
CAS Number: 136285-68-2
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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
C₂₈H₂₇N₃O₆
Molecular Weight
501.53
Synonyms
None
SMILES
N#CC=1C=CC=CC1C=2C=CC(=CC2)CN(C(=O)OC(C)(C)C)C=3C(=CC=CC3N(=O)=O)C(=O)OCC
Tpsa
122.77
Logp
6.25188
H Acceptors
7
H Donors
0
Rotatable Bonds
7
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₂₈H₂₇N₃O₆
Molecular Weight: 501.53
Synonyms: None
SMILES: N#CC=1C=CC=CC1C=2C=CC(=CC2)CN(C(=O)OC(C)(C)C)C=3C(=CC=CC3N(=O)=O)C(=O)OCC
Tpsa: 122.77
Logp: 6.25188
H Acceptors: 7
H Donors: 0
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:
C₂₈H₂₇N₃O₆
Molecular Weight:
501.53
Synonyms:
None
SMILES:
N#CC=1C=CC=CC1C=2C=CC(=CC2)CN(C(=O)OC(C)(C)C)C=3C(=CC=CC3N(=O)=O)C(=O)OCC
Tpsa:
122.77
Logp:
6.25188
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
7
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₀ClN
Molecular Weight: 227.69
Synonyms: None
SMILES: N#CC=1C=CC=CC1C=2C=CC(=CC2)CCl
Tpsa: 23.79
Logp: 3.96408
H Acceptors: 1
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:
C₁₄H₁₀ClN
Molecular Weight:
227.69
Synonyms:
None
SMILES:
N#CC=1C=CC=CC1C=2C=CC(=CC2)CCl
Tpsa:
23.79
Logp:
3.96408
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: C₆H₆O₆S
Molecular Weight: 206.17
Synonyms: None
SMILES: O=S(=O)(O)OC=1C=CC=C(O)C1O
Tpsa: 104.06
Logp: 0.2794
H Acceptors: 5
H Donors: 3
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:
C₆H₆O₆S
Molecular Weight:
206.17
Synonyms:
None
SMILES:
O=S(=O)(O)OC=1C=CC=C(O)C1O
Tpsa:
104.06
Logp:
0.2794
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
2
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₂Br₂O₂
Molecular Weight: 324.01
Synonyms: None
SMILES: BrCCOC=1C=CC=CC1OCCBr
Tpsa: 18.46
Logp: 3.234
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 6
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₂Br₂O₂
Molecular Weight:
324.01
Synonyms:
None
SMILES:
BrCCOC=1C=CC=CC1OCCBr
Tpsa:
18.46
Logp:
3.234
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
6