CS-0006639

Impurity B of Calcipotriol

Manufacturer: ChemScene

CAS Number: None

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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

C₂₇H₄₀O₃

Molecular Weight

412.60

Synonyms

None

SMILES

O[C@H](C/C1=C/C=C2[C@@](CC[C@@H]3[C@@H](/C=C/[C@@H](O)C4CC4)C)([H])[C@]3(C)CCC\2)C[C@H](O)C1=C

Tpsa

60.69

Logp

5.0906

H Acceptors

3

H Donors

3

Rotatable Bonds

5

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-0006639

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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:
C₂₇H₄₀O₃

Molecular Weight:
412.60

Synonyms:
None

SMILES:
O[C@H](C/C1=C/C=C2[C@@](CC[C@@H]3[C@@H](/C=C/[C@@H](O)C4CC4)C)([H])[C@]3(C)CCC\2)C[C@H](O)C1=C

Tpsa:
60.69

Logp:
5.0906

H Acceptors:
3

H Donors:
3

Rotatable Bonds:
5

Img

ChemScene

CS-0006640

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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:
C₂₇H₄₄O₂

Molecular Weight:
400.64

Synonyms:
25-Hydroxylumisterol3; cholesta-5,7-diene-3β,25 diol

SMILES:
O[C@H](C1)CC[C@]2(C)C1=CC=C3[C@@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@@H]4[C@@H](CCCC(C)(O)C)C

Tpsa:
40.46

Logp:
6.4237

H Acceptors:
2

H Donors:
2

Rotatable Bonds:
5

Img

ChemScene

CS-0006654

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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:
C₁₂H₉F₃N₂O₃

Molecular Weight:
286.21

Synonyms:
None

SMILES:
O=[N+](C1=CC2=C(C3CCC2N3C(C(F)(F)F)=O)C=C1)[O-]

Tpsa:
63.45

Logp:
2.8753

H Acceptors:
3

H Donors:
0

Rotatable Bonds:
1

Img

ChemScene

CS-0006655

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Purity:
97%

MDL No:
MFCD00034953

Storage:
Store at room temperature

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

Molecular Formula:
C₄H₁₀ClN

Molecular Weight:
107.58

Synonyms:
Cyclobutylammonium chloride

SMILES:
NC1CCC1.[H]Cl

Tpsa:
26.02

Logp:
0.9194

H Acceptors:
1

H Donors:
1

Rotatable Bonds:
0