CS-0654129
(2E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-cyclopropyl-2-penten-1-one
Manufacturer: ChemScene
CAS Number: 112849-17-9
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Purity
98%
MDL No
MFCD09833393
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=C1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C2[C@@](CC[C@@H]3[C@H](C)/C=C/C(C4CC4)=O)([H])[C@]3(C)CCC\2
Tpsa
35.53
Logp
11.3578
H Acceptors
3
H Donors
0
Rotatable Bonds
9
Other Options
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
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: MFCD09833393
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=C1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C2[C@@](CC[C@@H]3[C@H](C)/C=C/C(C4CC4)=O)([H])[C@]3(C)CCC\2
Tpsa: 35.53
Logp: 11.3578
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 9
Purity:
98%
MDL No:
MFCD09833393
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=C1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C2[C@@](CC[C@@H]3[C@H](C)/C=C/C(C4CC4)=O)([H])[C@]3(C)CCC\2
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: C₁₈H₃₂O₃
Molecular Weight: 296.44
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@@H]2[C@@H](CCCC(OCC)=O)C)([H])[C@@H](O)CCC1
Tpsa: 46.53
Logp: 3.9332
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₃₂O₃
Molecular Weight:
296.44
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@@H]2[C@@H](CCCC(OCC)=O)C)([H])[C@@H](O)CCC1
Tpsa:
46.53
Logp:
3.9332
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₃₇NO₂
Molecular Weight: 323.51
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@@H]2[C@@H](CCCC(C)(NC(C)=O)C)C)([H])[C@@H](O)CCC1
Tpsa: 49.33
Logp: 4.2848
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₃₇NO₂
Molecular Weight:
323.51
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@@H]2[C@@H](CCCC(C)(NC(C)=O)C)C)([H])[C@@H](O)CCC1
Tpsa:
49.33
Logp:
4.2848
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₁NO₄
Molecular Weight: 221.21
Synonyms: None
SMILES: O=C(C1(C2=CC=C([N+]([O-])=O)C=C2)CC1)OC
Tpsa: 69.44
Logp: 1.7994
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₁NO₄
Molecular Weight:
221.21
Synonyms:
None
SMILES:
O=C(C1(C2=CC=C([N+]([O-])=O)C=C2)CC1)OC
Tpsa:
69.44
Logp:
1.7994
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3