CS-0000076
(6aR,7R)-11-((3S,5R)-3,5-Dihydroxy-2-methylcyclohex-1-enyl)-6a-methyl-7-((R)-6-methylheptan-2-yl)-2-phenyl-4a,5,6,6a,7,8,9,9a-octahydrocyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H,11H)-dione
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
C₃₅H₄₉N₃O₄
Molecular Weight
575.78
Synonyms
None
SMILES
O=C(N(C1C(C[C@@H](O)C2)=C(C)[C@H]2O)N(C3CC[C@@]([C@H]4[C@H](C)CCCC(C)C)(C)C(CC4)C3=C1)C5=O)N5C6=CC=CC=C6
Tpsa
89.39
Logp
5.9437
H Acceptors
7
H Donors
2
Rotatable Bonds
7
Other Options
...
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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: C₃₅H₄₉N₃O₄
Molecular Weight: 575.78
Synonyms: None
SMILES: O=C(N(C1C(C[C@@H](O)C2)=C(C)[C@H]2O)N(C3CC[C@@]([C@H]4[C@H](C)CCCC(C)C)(C)C(CC4)C3=C1)C5=O)N5C6=CC=CC=C6
Tpsa: 89.39
Logp: 5.9437
H Acceptors: 7
H Donors: 2
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:
C₃₅H₄₉N₃O₄
Molecular Weight:
575.78
Synonyms:
None
SMILES:
O=C(N(C1C(C[C@@H](O)C2)=C(C)[C@H]2O)N(C3CC[C@@]([C@H]4[C@H](C)CCCC(C)C)(C)C(CC4)C3=C1)C5=O)N5C6=CC=CC=C6
Tpsa:
89.39
Logp:
5.9437
H Acceptors:
7
H Donors:
2
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: C₃₉H₇₀O₄Si₂
Molecular Weight: 659.14
Synonyms: None
SMILES: C=C([C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)C/1)O[Si](C)(C)C(C)(C)C)C1=C\C=C2[C@@]3([H])[C@@](CCC\2)(C)[C@@H]([C@H](C)CCCC(OCC)=O)CC3
Tpsa: 44.76
Logp: 11.5559
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₉H₇₀O₄Si₂
Molecular Weight:
659.14
Synonyms:
None
SMILES:
C=C([C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)C/1)O[Si](C)(C)C(C)(C)C)C1=C\C=C2[C@@]3([H])[C@@](CCC\2)(C)[C@@H]([C@H](C)CCCC(OCC)=O)CC3
Tpsa:
44.76
Logp:
11.5559
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
11
Purity: 98%
MDL No: MFCD28347533
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₃₄N₂O₅
Molecular Weight: 382.49
Synonyms: 3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 3-[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-, methyl ester, (1R,2S,5S)-
SMILES: O=C([C@H](C(C)(C)C)NC(OC(C)(C)C)=O)N1[C@H](C(OC)=O)[C@H]2C([C@H]2C1)(C)C
Tpsa: 84.94
Logp: 2.5818
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD28347533
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₃₄N₂O₅
Molecular Weight:
382.49
Synonyms:
3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 3-[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-, methyl ester, (1R,2S,5S)-
SMILES:
O=C([C@H](C(C)(C)C)NC(OC(C)(C)C)=O)N1[C@H](C(OC)=O)[C@H]2C([C@H]2C1)(C)C
Tpsa:
84.94
Logp:
2.5818
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD00020587
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₇NO₂
Molecular Weight: 195.26
Synonyms: N-Benzyldiethanolamine
SMILES: OCCN(CCO)CC1=CC=CC=C1
Tpsa: 43.7
Logp: 0.4732
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
MFCD00020587
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₇NO₂
Molecular Weight:
195.26
Synonyms:
N-Benzyldiethanolamine
SMILES:
OCCN(CCO)CC1=CC=CC=C1
Tpsa:
43.7
Logp:
0.4732
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
6