CS-0653422
(εR,1R,3aR,4S,7aR)-Octahydro-4-hydroxy-ε,7a-dimethyl-α,α-bis(trifluoromethyl)-1H-indene-1-pentanol
Manufacturer: ChemScene
CAS Number: 2454249-03-5
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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
C₁₈H₂₈F₆O₂
Molecular Weight
390.40
Synonyms
None
SMILES
C[C@@]12[C@@](CC[C@@]1([H])[C@H](CCC2)O)([H])[C@H](C)CCCC(C(F)(F)F)(O)C(F)(F)F
Tpsa
40.46
Logp
5.2258
H Acceptors
2
H Donors
2
Rotatable Bonds
5
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: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₈F₆O₂
Molecular Weight: 390.40
Synonyms: None
SMILES: C[C@@]12[C@@](CC[C@@]1([H])[C@H](CCC2)O)([H])[C@H](C)CCCC(C(F)(F)F)(O)C(F)(F)F
Tpsa: 40.46
Logp: 5.2258
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₈F₆O₂
Molecular Weight:
390.40
Synonyms:
None
SMILES:
C[C@@]12[C@@](CC[C@@]1([H])[C@H](CCC2)O)([H])[C@H](C)CCCC(C(F)(F)F)(O)C(F)(F)F
Tpsa:
40.46
Logp:
5.2258
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: MFCD25977156
Storage: -20°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₀H₅₀O₅
Molecular Weight: 490.72
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@]2([H])[C@H](C)CCCC(C)(O)C)([H])/C(CCC1)=C/C=C3C([C@H]([C@@H]([C@@H](C\3)O)OCCCO)O)=C
Tpsa: 90.15
Logp: 5.0822
H Acceptors: 5
H Donors: 4
Rotatable Bonds: 10
Purity:
98%
MDL No:
MFCD25977156
Storage:
-20°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₅₀O₅
Molecular Weight:
490.72
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@]2([H])[C@H](C)CCCC(C)(O)C)([H])/C(CCC1)=C/C=C3C([C@H]([C@@H]([C@@H](C\3)O)OCCCO)O)=C
Tpsa:
90.15
Logp:
5.0822
H Acceptors:
5
H Donors:
4
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₇NO
Molecular Weight: 145.16
Synonyms: None
SMILES: N#CC1=CC=C(C(C)=O)C=C1
Tpsa: 40.86
Logp: 1.76088
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₇NO
Molecular Weight:
145.16
Synonyms:
None
SMILES:
N#CC1=CC=C(C(C)=O)C=C1
Tpsa:
40.86
Logp:
1.76088
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₁NO₄
Molecular Weight: 243.30
Synonyms: None
SMILES: C[C@@H](OC1CCCCO1)C(N2CCOCC2)=O
Tpsa: 48
Logp: 0.7769
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₁NO₄
Molecular Weight:
243.30
Synonyms:
None
SMILES:
C[C@@H](OC1CCCCO1)C(N2CCOCC2)=O
Tpsa:
48
Logp:
0.7769
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3