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CS-0078495

BAY-85-8501 Racemate

Manufacturer: ChemScene

CAS Number: None

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Purity

98%

MDL No

None

Storage

4°C

Shipping

Room temperature in continental US; may vary elsewhere.

Molecular Formula

C₂₂H₁₇F₃N₄O₃S

Molecular Weight

474.46

Synonyms

None

SMILES

N#CC1=C(C)N(C2=CC=CC(C(F)(F)F)=C2)C(N(C)C1C3=CC=C(C#N)C=C3S(=O)(C)=O)=O

Tpsa

105.27

Logp

4.39126

H Acceptors

5

H Donors

0

Rotatable Bonds

3

Other Options

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SAFETY INFORMATION

Pictograms

Signal Word

N/A

UN Number

N/A

Class

N/A

Packing Group

N/A

Hazard Statements

Precautionary Statements

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Show Difference

ChemScene

--

Purity:

98%

MDL No:

None

Storage:

4°C

Shipping:

Room temperature in continental US; may vary elsewhere.

Molecular Formula:

C₂₂H₁₇F₃N₄O₃S

Molecular Weight:

474.46

Synonyms:

None

SMILES:

N#CC1=C(C)N(C2=CC=CC(C(F)(F)F)=C2)C(N(C)C1C3=CC=C(C#N)C=C3S(=O)(C)=O)=O

Tpsa:

105.27

Logp:

4.39126

H Acceptors:

5

H Donors:

0

Rotatable Bonds:

3

ChemScene

--

Purity:

98%

MDL No:

None

Storage:

Sealed in dry,2-8℃

Shipping:

Room temperature in continental US; may vary elsewhere.

Molecular Formula:

C₈H₁₁ClF₃NO₂

Molecular Weight:

245.63

Synonyms:

(2R)-2-amino-2-[3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-yl]acetic acid hydrochloride

SMILES:

OC([C@H](N)C1(C2)CC2(C(F)(F)F)C1)=O.Cl

Tpsa:

63.32

Logp:

1.5527

H Acceptors:

2

H Donors:

2

Rotatable Bonds:

2

ChemScene

--

Purity:

97%

MDL No:

None

Storage:

Sealed in dry,2-8℃

Shipping:

Room temperature in continental US; may vary elsewhere.

Molecular Formula:

C₁₁H₁₈BrNO₂

Molecular Weight:

276.17

Synonyms:

tert-butyl N-[3-(bromomethyl)bicyclo[1.1.1]pentan-1-yl]carbamate

SMILES:

O=C(OC(C)(C)C)NC1(C2)CC2(CBr)C1

Tpsa:

38.33

Logp:

2.8287

H Acceptors:

2

H Donors:

1

Rotatable Bonds:

2

ChemScene

--

Purity:

98%

MDL No:

MFCD31579860

Storage:

4°C

Shipping:

Room temperature in continental US; may vary elsewhere.

Molecular Formula:

C₁₉H₁₇F₂N₅OS

Molecular Weight:

401.43

Synonyms:

None

SMILES:

FC1=C(C=C(C(F)=C1)C(NC2CC2)=O)NCC3=CN=C(S3)NC4=NC=CC=C4

Tpsa:

78.94

Logp:

4.0642

H Acceptors:

6

H Donors:

3

Rotatable Bonds:

7