CS-0666037
(2R,3R)-2,3-bis((4-methylbenzoyl)oxy)succinate ,rel-(3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine(1:2)
Manufacturer: ChemScene
CAS Number: 493040-24-7
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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
C₄₈H₆₂N₄O₈
Molecular Weight
823.03
Synonyms
None
SMILES
O=C(C1=CC=C(C=C1)C)O[C@@H](C(O)=O)[C@H](C(O)=O)OC(C2=CC=C(C=C2)C)=O.CN[C@@H]([C@H](CC3)C)CN3CC4=CC=CC=C4.CN[C@@H]([C@H](CC5)C)CN5CC6=CC=CC=C6
Tpsa
157.74
Logp
6.45644
H Acceptors
10
H Donors
4
Rotatable Bonds
13
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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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: C₄₈H₆₂N₄O₈
Molecular Weight: 823.03
Synonyms: None
SMILES: O=C(C1=CC=C(C=C1)C)O[C@@H](C(O)=O)[C@H](C(O)=O)OC(C2=CC=C(C=C2)C)=O.CN[C@@H]([C@H](CC3)C)CN3CC4=CC=CC=C4.CN[C@@H]([C@H](CC5)C)CN5CC6=CC=CC=C6
Tpsa: 157.74
Logp: 6.45644
H Acceptors: 10
H Donors: 4
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₈H₆₂N₄O₈
Molecular Weight:
823.03
Synonyms:
None
SMILES:
O=C(C1=CC=C(C=C1)C)O[C@@H](C(O)=O)[C@H](C(O)=O)OC(C2=CC=C(C=C2)C)=O.CN[C@@H]([C@H](CC3)C)CN3CC4=CC=CC=C4.CN[C@@H]([C@H](CC5)C)CN5CC6=CC=CC=C6
Tpsa:
157.74
Logp:
6.45644
H Acceptors:
10
H Donors:
4
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₉N₃
Molecular Weight: 147.18
Synonyms: None
SMILES: CC1=CC=CN2C1=NC(=N2)C
Tpsa: 30.19
Logp: 1.34614
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₉N₃
Molecular Weight:
147.18
Synonyms:
None
SMILES:
CC1=CC=CN2C1=NC(=N2)C
Tpsa:
30.19
Logp:
1.34614
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₇Br
Molecular Weight: 147.01
Synonyms: None
SMILES: C=C1CC(C1)Br
Tpsa: 0
Logp: 2.0999
H Acceptors: 0
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₇Br
Molecular Weight:
147.01
Synonyms:
None
SMILES:
C=C1CC(C1)Br
Tpsa:
0
Logp:
2.0999
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₈O
Molecular Weight: 84.12
Synonyms: None
SMILES: C1C2C1(C2)CO
Tpsa: 20.23
Logp: 0.3887
H Acceptors: 1
H Donors: 1
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:
C₅H₈O
Molecular Weight:
84.12
Synonyms:
None
SMILES:
C1C2C1(C2)CO
Tpsa:
20.23
Logp:
0.3887
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
1