CS-0129498
(R,E)-4-((1R,3aS,7aR,E)-4-((Z)-2-((3S,5R)-3,5-bis((Tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-one
Manufacturer: ChemScene
CAS Number: 866406-02-2
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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
C₃₉H₆₆O₃Si₂
Molecular Weight
639.11
Synonyms
None
SMILES
C[C@@H]([C@H]1CC[C@@]2([H])/C(CCC[C@]12C)=C/C=C3C([C@@H](O[Si](C)(C(C)(C)C)C)C[C@H](O[Si](C)(C(C)(C)C)C)C\3)=C)/C=C/C(C4CC4)=O
Tpsa
35.53
Logp
11.3578
H Acceptors
3
H Donors
0
Rotatable Bonds
9
SAFETY INFORMATION
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: C₃₉H₆₆O₃Si₂
Molecular Weight: 639.11
Synonyms: None
SMILES: C[C@@H]([C@H]1CC[C@@]2([H])/C(CCC[C@]12C)=C/C=C3C([C@@H](O[Si](C)(C(C)(C)C)C)C[C@H](O[Si](C)(C(C)(C)C)C)C\3)=C)/C=C/C(C4CC4)=O
Tpsa: 35.53
Logp: 11.3578
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₉H₆₆O₃Si₂
Molecular Weight:
639.11
Synonyms:
None
SMILES:
C[C@@H]([C@H]1CC[C@@]2([H])/C(CCC[C@]12C)=C/C=C3C([C@@H](O[Si](C)(C(C)(C)C)C)C[C@H](O[Si](C)(C(C)(C)C)C)C\3)=C)/C=C/C(C4CC4)=O
Tpsa:
35.53
Logp:
11.3578
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₉H₆₆O₃Si₂
Molecular Weight: 639.11
Synonyms: None
SMILES: [H][C@@]1(CC[C@@H]2[C@@H](/C=C/C(C3CC3)=O)C)[C@@]2(CCC/C1=C\C=C4C[C@H](C[C@H](C/4=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
Tpsa: 35.53
Logp: 11.3578
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₉H₆₆O₃Si₂
Molecular Weight:
639.11
Synonyms:
None
SMILES:
[H][C@@]1(CC[C@@H]2[C@@H](/C=C/C(C3CC3)=O)C)[C@@]2(CCC/C1=C\C=C4C[C@H](C[C@H](C/4=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
Tpsa:
35.53
Logp:
11.3578
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₃H₅₂O₂Si
Molecular Weight: 508.85
Synonyms: Calcipotriol Impurity 33
SMILES: C[C@H](/C=C/C(C1CC1)=O)[C@H]([C@]2(CCC/3)C)CC[C@@]2([H])C3=C\C=C4C[C@@H](O[Si](C)(C(C)(C)C)C)CCC/4=C
Tpsa: 26.3
Logp: 9.3575
H Acceptors: 2
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:
C₃₃H₅₂O₂Si
Molecular Weight:
508.85
Synonyms:
Calcipotriol Impurity 33
SMILES:
C[C@H](/C=C/C(C1CC1)=O)[C@H]([C@]2(CCC/3)C)CC[C@@]2([H])C3=C\C=C4C[C@@H](O[Si](C)(C(C)(C)C)C)CCC/4=C
Tpsa:
26.3
Logp:
9.3575
H Acceptors:
2
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: C₁₁H₂₂N₂O₃
Molecular Weight: 230.30
Synonyms: None
SMILES: O=C(N1C(C)(C)OC[C@H]1CN)OC(C)(C)C
Tpsa: 64.79
Logp: 1.3171
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₂₂N₂O₃
Molecular Weight:
230.30
Synonyms:
None
SMILES:
O=C(N1C(C)(C)OC[C@H]1CN)OC(C)(C)C
Tpsa:
64.79
Logp:
1.3171
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1