CS-1001921
Evocalcet Impurity 8
Manufacturer: ChemScene
CAS Number: 1666124-30-6
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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
C₂₆H₃₀N₂O₂
Molecular Weight
402.53
Synonyms
None
SMILES
[C@@H](N[C@@H]1CN(CC1)C2=CC=C(CC(OCC)=O)C=C2)(C)C=3C4=C(C=CC3)C=CC=C4
Tpsa
41.57
Logp
4.8749
H Acceptors
4
H Donors
1
Rotatable Bonds
7
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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: C₂₆H₃₀N₂O₂
Molecular Weight: 402.53
Synonyms: None
SMILES: [C@@H](N[C@@H]1CN(CC1)C2=CC=C(CC(OCC)=O)C=C2)(C)C=3C4=C(C=CC3)C=CC=C4
Tpsa: 41.57
Logp: 4.8749
H Acceptors: 4
H Donors: 1
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:
C₂₆H₃₀N₂O₂
Molecular Weight:
402.53
Synonyms:
None
SMILES:
[C@@H](N[C@@H]1CN(CC1)C2=CC=C(CC(OCC)=O)C=C2)(C)C=3C4=C(C=CC3)C=CC=C4
Tpsa:
41.57
Logp:
4.8749
H Acceptors:
4
H Donors:
1
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: C₁₇H₁₈BrN₅O₆S
Molecular Weight: 500.32
Synonyms: None
SMILES: BrC=1N(C=2C(N1)=C(N)N=CN2)[C@H]3[C@H](OS(=O)(=O)C4=CC=C(C)C=C4)[C@H](O)[C@@H](CO)O3
Tpsa: 162.68
Logp: 0.50412
H Acceptors: 11
H Donors: 3
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:
C₁₇H₁₈BrN₅O₆S
Molecular Weight:
500.32
Synonyms:
None
SMILES:
BrC=1N(C=2C(N1)=C(N)N=CN2)[C@H]3[C@H](OS(=O)(=O)C4=CC=C(C)C=C4)[C@H](O)[C@@H](CO)O3
Tpsa:
162.68
Logp:
0.50412
H Acceptors:
11
H Donors:
3
Rotatable Bonds:
5
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₄H₅₀N₆O₁₀S₂
Molecular Weight: 766.93
Synonyms: None
SMILES: C(O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@@H](C)C1S[C@@H]3CN(C([C@H]([C@@H](C)O)[C@]4([C@@H](C)C(S[C@H]5C[C@@H](C(N(C)C)=O)NC5)=C(C(O)=O)N4)[H])=O)[C@H](C(N(C)C)=O)C3)[H]
Tpsa: 220.36
Logp: -0.616
H Acceptors: 12
H Donors: 6
Rotatable Bonds: 12
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₄H₅₀N₆O₁₀S₂
Molecular Weight:
766.93
Synonyms:
None
SMILES:
C(O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@@H](C)C1S[C@@H]3CN(C([C@H]([C@@H](C)O)[C@]4([C@@H](C)C(S[C@H]5C[C@@H](C(N(C)C)=O)NC5)=C(C(O)=O)N4)[H])=O)[C@H](C(N(C)C)=O)C3)[H]
Tpsa:
220.36
Logp:
-0.616
H Acceptors:
12
H Donors:
6
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: C₂₀H₂₆O₂
Molecular Weight: 298.42
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@](CC1)([C@]4(C(CC3)=CC(=O)CC4)[H])[H])[H])(CC[C@]2(C#C)O)[H]
Tpsa: 37.3
Logp: 3.4925
H Acceptors: 2
H Donors: 1
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:
C₂₀H₂₆O₂
Molecular Weight:
298.42
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@](CC1)([C@]4(C(CC3)=CC(=O)CC4)[H])[H])[H])(CC[C@]2(C#C)O)[H]
Tpsa:
37.3
Logp:
3.4925
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0