CS-0095320

(S)-3-((tert-Butoxycarbonyl)amino)-2-(4-(((2,4-dimethylbenzoyl)oxy)methyl)phenyl)propanoic acid

Manufacturer: ChemScene

CAS Number: 2097334-20-6

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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

C₂₄H₂₉NO₆

Molecular Weight

427.49

Synonyms

Netadil Impurity 2

SMILES

O=C(C1=CC=C(C)C=C1C)OCC2=CC=C([C@H](C(O)=O)CNC(OC(C)(C)C)=O)C=C2

Tpsa

101.93

Logp

4.35334

H Acceptors

5

H Donors

2

Rotatable Bonds

7

SAFETY INFORMATION

ghsPictogramUrl

https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg

Pictograms

GHS07

Signal Word

Warning

UN Number

N/A

Class

N/A

Packing Group

N/A

Hazard Statements

H302-H315-H319-H335

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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Img

ChemScene

CS-0095320

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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:
C₂₄H₂₉NO₆

Molecular Weight:
427.49

Synonyms:
Netadil Impurity 2

SMILES:
O=C(C1=CC=C(C)C=C1C)OCC2=CC=C([C@H](C(O)=O)CNC(OC(C)(C)C)=O)C=C2

Tpsa:
101.93

Logp:
4.35334

H Acceptors:
5

H Donors:
2

Rotatable Bonds:
7

Img

ChemScene

CS-0095321

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Purity:
98%

MDL No:
None

Storage:
Store at room temperature

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₂₇H₂₆BN₃O₂

Molecular Weight:
435.33

Synonyms:
4-(4,6-Diphenyl-1,3,5-triazine-2-yl)phenylboronic Acid Pinacol Ester

SMILES:
CC1(C)C(C)(C)OB(C2=CC=C(C3=NC(C4=CC=CC=C4)=NC(C5=CC=CC=C5)=N3)C=C2)O1

Tpsa:
57.13

Logp:
5.1718

H Acceptors:
5

H Donors:
0

Rotatable Bonds:
4

Img

ChemScene

CS-0095336

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Purity:
97%

MDL No:
MFCD20483623

Storage:
4°C

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₀H₉BrN₂O₂

Molecular Weight:
269.09

Synonyms:
ethyl N-(4-bromo-2-cyanophenyl)carbamate

SMILES:
O=C(OCC)NC1=CC=C(Br)C=C1C#N

Tpsa:
62.12

Logp:
2.88918

H Acceptors:
3

H Donors:
1

Rotatable Bonds:
2

Img

ChemScene

CS-0095337

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Purity:
97%

MDL No:
None

Storage:
Store at room temperature

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₅H₄BrNO₂S

Molecular Weight:
222.06

Synonyms:
None

SMILES:
O=C(C1=C(N)C(Br)=CS1)O

Tpsa:
63.32

Logp:
1.791

H Acceptors:
3

H Donors:
2

Rotatable Bonds:
1