CS-0914364
N-((R)-1-(((R)-3-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butyl)amino)-1-oxo-3- phenylpropan-2-yl)pyrazine-2-carboxamide
Manufacturer: ChemScene
CAS Number: 1375004-39-9
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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
C₂₉H₃₉BN₄O₄
Molecular Weight
518.46
Synonyms
None
SMILES
C[C@]12[C@@]3(C(C)(C)[C@@](C3)(C[C@]1(OB([C@@H](NC([C@@H](CC4=CC=CC=C4)NC(=O)C=5C=NC=CN5)=O)CC(C)C)O2)[H])[H])[H]
Tpsa
102.44
Logp
3.6161
H Acceptors
6
H Donors
2
Rotatable Bonds
9
Related Products
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: C₂₉H₃₉BN₄O₄
Molecular Weight: 518.46
Synonyms: None
SMILES: C[C@]12[C@@]3(C(C)(C)[C@@](C3)(C[C@]1(OB([C@@H](NC([C@@H](CC4=CC=CC=C4)NC(=O)C=5C=NC=CN5)=O)CC(C)C)O2)[H])[H])[H]
Tpsa: 102.44
Logp: 3.6161
H Acceptors: 6
H Donors: 2
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:
C₂₉H₃₉BN₄O₄
Molecular Weight:
518.46
Synonyms:
None
SMILES:
C[C@]12[C@@]3(C(C)(C)[C@@](C3)(C[C@]1(OB([C@@H](NC([C@@H](CC4=CC=CC=C4)NC(=O)C=5C=NC=CN5)=O)CC(C)C)O2)[H])[H])[H]
Tpsa:
102.44
Logp:
3.6161
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
9
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₉BF₃NO₄
Molecular Weight: 379.22
Synonyms: None
SMILES: C(C(O)=O)(F)(F)F.C[C@@]12[C@]3(C(C)(C)[C@](C3)(C[C@@]1(OB([C@@H](CC(C)C)N)O2)[H])[H])[H]
Tpsa: 81.78
Logp: 3.2606
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₉BF₃NO₄
Molecular Weight:
379.22
Synonyms:
None
SMILES:
C(C(O)=O)(F)(F)F.C[C@@]12[C@]3(C(C)(C)[C@](C3)(C[C@@]1(OB([C@@H](CC(C)C)N)O2)[H])[H])[H]
Tpsa:
81.78
Logp:
3.2606
H Acceptors:
4
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: C₃₂H₂₈F₄N₆O₆S₂
Molecular Weight: 732.72
Synonyms: None
SMILES: FC(F)OC1=CC=2N=C(SCC3=NC=CC(OC)=C3OC)NC2C=C1C=4C=C5NC(=NC5=CC4OC(F)F)SCC6=NC=CC(OC)=C6OC
Tpsa: 138.52
Logp: 7.718
H Acceptors: 12
H Donors: 2
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₂₈F₄N₆O₆S₂
Molecular Weight:
732.72
Synonyms:
None
SMILES:
FC(F)OC1=CC=2N=C(SCC3=NC=CC(OC)=C3OC)NC2C=C1C=4C=C5NC(=NC5=CC4OC(F)F)SCC6=NC=CC(OC)=C6OC
Tpsa:
138.52
Logp:
7.718
H Acceptors:
12
H Donors:
2
Rotatable Bonds:
15
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₀F₄N₄O₂S₂
Molecular Weight: 430.40
Synonyms: None
SMILES: FC(F)OC1=CC=2NC(=S)NC2C=C1C=3C=C4NC(=S)NC4=CC3OC(F)F
Tpsa: 81.62
Logp: 5.63418
H Acceptors: 4
H Donors: 4
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:
C₁₆H₁₀F₄N₄O₂S₂
Molecular Weight:
430.40
Synonyms:
None
SMILES:
FC(F)OC1=CC=2NC(=S)NC2C=C1C=3C=C4NC(=S)NC4=CC3OC(F)F
Tpsa:
81.62
Logp:
5.63418
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
5