CS-0229044
(1S,4R,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-bis(tert-butyldimethylsilyloxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol Calcipotriol Impurity
Manufacturer: ChemScene
CAS Number: 112849-27-1
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Purity
98%
MDL No
MFCD09952331
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₉H₆₈O₃Si₂
Molecular Weight
641.13
Synonyms
Trans-Calcipotriol-bis-TBDMS-ether
SMILES
C=C([C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C/1)O[Si](C)(C)C(C)(C)C)C1=C\C=C2[C@@]3([H])[C@@](CCC\2)(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C4CC4)CC3
Tpsa
38.69
Logp
11.1496
H Acceptors
3
H Donors
1
Rotatable Bonds
9
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | (1S,4R,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-bis(tert-butyldimethylsilyloxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol | ChemScene | ₹ 8,128.20 - ₹ 2,45,557.20 | |
 | 112849-27-1 | Bis-O-(tert-butyldimethylsilyl)-trans-calcipotriol | A2B Chem | ₹ 12,406.20 - ₹ 52,533.84 |
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
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Purity: 98%
MDL No: MFCD09952331
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₉H₆₈O₃Si₂
Molecular Weight: 641.13
Synonyms: Trans-Calcipotriol-bis-TBDMS-ether
SMILES: C=C([C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C/1)O[Si](C)(C)C(C)(C)C)C1=C\C=C2[C@@]3([H])[C@@](CCC\2)(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C4CC4)CC3
Tpsa: 38.69
Logp: 11.1496
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 9
Purity:
98%
MDL No:
MFCD09952331
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₉H₆₈O₃Si₂
Molecular Weight:
641.13
Synonyms:
Trans-Calcipotriol-bis-TBDMS-ether
SMILES:
C=C([C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C/1)O[Si](C)(C)C(C)(C)C)C1=C\C=C2[C@@]3([H])[C@@](CCC\2)(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C4CC4)CC3
Tpsa:
38.69
Logp:
11.1496
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
9
Purity: 98%
MDL No: MFCD00025318
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₃NO
Molecular Weight: 199.25
Synonyms: 4-Benzyloxyaniline
SMILES: NC1=CC=C(OCC2=CC=CC=C2)C=C1
Tpsa: 35.25
Logp: 2.8478
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD00025318
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₃NO
Molecular Weight:
199.25
Synonyms:
4-Benzyloxyaniline
SMILES:
NC1=CC=C(OCC2=CC=CC=C2)C=C1
Tpsa:
35.25
Logp:
2.8478
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD22370640
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₇Cl₂NO₄
Molecular Weight: 346.21
Synonyms: N-Boc- 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
SMILES: O=C(N1CC2=C(C(Cl)=C(C(O)=O)C(Cl)=C2)CC1)OC(C)(C)C
Tpsa: 66.84
Logp: 3.9848
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD22370640
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₇Cl₂NO₄
Molecular Weight:
346.21
Synonyms:
N-Boc- 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
SMILES:
O=C(N1CC2=C(C(Cl)=C(C(O)=O)C(Cl)=C2)CC1)OC(C)(C)C
Tpsa:
66.84
Logp:
3.9848
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD03138381
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₁FN₂O₃
Molecular Weight: 226.20
Synonyms: Morpholine, 4-(2-fluoro-4-nitrophenyl)-; 4-(2-Fluoro-4-nitrophenyl)morpholine
SMILES: O=[N+](C1=CC=C(N2CCOCC2)C(F)=C1)[O-]
Tpsa: 55.61
Logp: 1.5705
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD03138381
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₁FN₂O₃
Molecular Weight:
226.20
Synonyms:
Morpholine, 4-(2-fluoro-4-nitrophenyl)-; 4-(2-Fluoro-4-nitrophenyl)morpholine
SMILES:
O=[N+](C1=CC=C(N2CCOCC2)C(F)=C1)[O-]
Tpsa:
55.61
Logp:
1.5705
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2