CS-0654471
(3R,4R,5S)-Ethyl 4-(N-(tert-butyl)acetamido)-5-(diallylamino)-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate
Manufacturer: ChemScene
CAS Number: None
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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
C₂₆H₄₄N₂O₄
Molecular Weight
448.64
Synonyms
None
SMILES
CCC(CC)O[C@H]1[C@H](N(C(C)=O)C(C)(C)C)[C@@H](N(CC=C)CC=C)CC(C(OCC)=O)=C1
Tpsa
59.08
Logp
4.5116
H Acceptors
5
H Donors
0
Rotatable Bonds
12
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: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₄₄N₂O₄
Molecular Weight: 448.64
Synonyms: None
SMILES: CCC(CC)O[C@H]1[C@H](N(C(C)=O)C(C)(C)C)[C@@H](N(CC=C)CC=C)CC(C(OCC)=O)=C1
Tpsa: 59.08
Logp: 4.5116
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₄₄N₂O₄
Molecular Weight:
448.64
Synonyms:
None
SMILES:
CCC(CC)O[C@H]1[C@H](N(C(C)=O)C(C)(C)C)[C@@H](N(CC=C)CC=C)CC(C(OCC)=O)=C1
Tpsa:
59.08
Logp:
4.5116
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: 4°C, sealed storage, away from moisture and light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₈ClN₃Se
Molecular Weight: 366.75
Synonyms: None
SMILES: CN(C)C1=CC2=[Se+]C3=CC(N(C)C)=CC=C3N=C2C=C1.[Cl-]
Tpsa: 19.37
Logp: -0.1379
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C, sealed storage, away from moisture and light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₈ClN₃Se
Molecular Weight:
366.75
Synonyms:
None
SMILES:
CN(C)C1=CC2=[Se+]C3=CC(N(C)C)=CC=C3N=C2C=C1.[Cl-]
Tpsa:
19.37
Logp:
-0.1379
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₃₄O₂
Molecular Weight: 330.50
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@]2([H])[C@H](C)CO)([H])/C(CCC1)=C/C=C3C(CC[C@@H](C\3)O)=C
Tpsa: 40.46
Logp: 4.785
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:
C₂₂H₃₄O₂
Molecular Weight:
330.50
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@]2([H])[C@H](C)CO)([H])/C(CCC1)=C/C=C3C(CC[C@@H](C\3)O)=C
Tpsa:
40.46
Logp:
4.785
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: C₅₄H₇₈O₅
Molecular Weight: 807.19
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@@H]2[C@@H](/C=C/[C@@]([H])(O[C@@](C3CC3)(/C=C/[C@](C)([H])[C@@]4([H])CC[C@@]5([H])/C(CCC[C@@]54C)=C/C=C6C[C@@H](O)C[C@H](O)C/6=C)[H])C7CC7)C)([H])/C(CCC1)=C/C=C8C[C@@H](O)C[C@H](O)C/8=C
Tpsa: 90.15
Logp: 11.2268
H Acceptors: 5
H Donors: 4
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₄H₇₈O₅
Molecular Weight:
807.19
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@@H]2[C@@H](/C=C/[C@@]([H])(O[C@@](C3CC3)(/C=C/[C@](C)([H])[C@@]4([H])CC[C@@]5([H])/C(CCC[C@@]54C)=C/C=C6C[C@@H](O)C[C@H](O)C/6=C)[H])C7CC7)C)([H])/C(CCC1)=C/C=C8C[C@@H](O)C[C@H](O)C/8=C
Tpsa:
90.15
Logp:
11.2268
H Acceptors:
5
H Donors:
4
Rotatable Bonds:
12