CS-0914506
(1S,3S,4aR,7S,8S,8aS)-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl 2,2-dimethylbutanoate
Manufacturer: ChemScene
CAS Number: 92083-03-9
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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
C₂₅H₄₀O₅
Molecular Weight
420.58
Synonyms
None
SMILES
O=C1OC(CCC2C(C=CC3CC(C)CC(OC(=O)C(C)(C)CC)C32)C)CC(O)C1
Tpsa
72.83
Logp
4.6655
H Acceptors
5
H Donors
1
Rotatable Bonds
6
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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: C₂₅H₄₀O₅
Molecular Weight: 420.58
Synonyms: None
SMILES: O=C1OC(CCC2C(C=CC3CC(C)CC(OC(=O)C(C)(C)CC)C32)C)CC(O)C1
Tpsa: 72.83
Logp: 4.6655
H Acceptors: 5
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:
C₂₅H₄₀O₅
Molecular Weight:
420.58
Synonyms:
None
SMILES:
O=C1OC(CCC2C(C=CC3CC(C)CC(OC(=O)C(C)(C)CC)C32)C)CC(O)C1
Tpsa:
72.83
Logp:
4.6655
H Acceptors:
5
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: C₁₆H₁₈F₃N₅O
Molecular Weight: 353.34
Synonyms: None
SMILES: C(F)(F)(F)C=1N2C(CN(C(C[C@H](CC3=CC=CC=C3)N)=O)CC2)=NN1
Tpsa: 77.04
Logp: 1.5992
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₈F₃N₅O
Molecular Weight:
353.34
Synonyms:
None
SMILES:
C(F)(F)(F)C=1N2C(CN(C(C[C@H](CC3=CC=CC=C3)N)=O)CC2)=NN1
Tpsa:
77.04
Logp:
1.5992
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₅F₆N₅O
Molecular Weight: 407.31
Synonyms: None
SMILES: C(F)(F)(F)C=1N2C(CN(C(C[C@@H](CC3=C(F)C(F)=CC=C3F)N)=O)CC2)=NN1
Tpsa: 77.04
Logp: 2.0165
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₅F₆N₅O
Molecular Weight:
407.31
Synonyms:
None
SMILES:
C(F)(F)(F)C=1N2C(CN(C(C[C@@H](CC3=C(F)C(F)=CC=C3F)N)=O)CC2)=NN1
Tpsa:
77.04
Logp:
2.0165
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₉Br₂ClN₂
Molecular Weight: 398.56
Synonyms: None
SMILES: Cl.BrC=1C=C(Br)C(N)=C(C1)CNC2CCCCC2
Tpsa: 38.05
Logp: 4.6379
H Acceptors: 2
H Donors: 2
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:
C₁₃H₁₉Br₂ClN₂
Molecular Weight:
398.56
Synonyms:
None
SMILES:
Cl.BrC=1C=C(Br)C(N)=C(C1)CNC2CCCCC2
Tpsa:
38.05
Logp:
4.6379
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
3