CS-1000901
Suvorexant Impurity A
Manufacturer: ChemScene
CAS Number: 1276666-19-3
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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
C₂₃H₂₃ClN₆O₂
Molecular Weight
450.92
Synonyms
None
SMILES
C(=O)(C1=C(C=CC(C)=C1)N2N=CC=N2)N3CCN([C@H](C)CC3)C4=NC=5C(O4)=CC=C(Cl)C5
Tpsa
80.29
Logp
4.11132
H Acceptors
7
H Donors
0
Rotatable Bonds
3
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: C₂₃H₂₃ClN₆O₂
Molecular Weight: 450.92
Synonyms: None
SMILES: C(=O)(C1=C(C=CC(C)=C1)N2N=CC=N2)N3CCN([C@H](C)CC3)C4=NC=5C(O4)=CC=C(Cl)C5
Tpsa: 80.29
Logp: 4.11132
H Acceptors: 7
H Donors: 0
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:
C₂₃H₂₃ClN₆O₂
Molecular Weight:
450.92
Synonyms:
None
SMILES:
C(=O)(C1=C(C=CC(C)=C1)N2N=CC=N2)N3CCN([C@H](C)CC3)C4=NC=5C(O4)=CC=C(Cl)C5
Tpsa:
80.29
Logp:
4.11132
H Acceptors:
7
H Donors:
0
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: C₈H₂₀N₄
Molecular Weight: 172.27
Synonyms: None
SMILES: NCCN1CCNCCNCC1
Tpsa: 53.32
Logp: -1.5601
H Acceptors: 4
H Donors: 3
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:
C₈H₂₀N₄
Molecular Weight:
172.27
Synonyms:
None
SMILES:
NCCN1CCNCCNCC1
Tpsa:
53.32
Logp:
-1.5601
H Acceptors:
4
H Donors:
3
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: C₁₄H₁₂ClNO₂
Molecular Weight: 261.70
Synonyms: None
SMILES: O=C(O)CC=1C=CC=CC1NC=2C=CC=CC2Cl
Tpsa: 49.33
Logp: 3.7107
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₂ClNO₂
Molecular Weight:
261.70
Synonyms:
None
SMILES:
O=C(O)CC=1C=CC=CC1NC=2C=CC=CC2Cl
Tpsa:
49.33
Logp:
3.7107
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₁NO₅S
Molecular Weight: 387.45
Synonyms: None
SMILES: O=C(C1=CC=C(O)C=C1)C=2C=3C=C(C=CC3OC2CCCC)NS(=O)(=O)C
Tpsa: 96.61
Logp: 4.0835
H Acceptors: 5
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:
C₂₀H₂₁NO₅S
Molecular Weight:
387.45
Synonyms:
None
SMILES:
O=C(C1=CC=C(O)C=C1)C=2C=3C=C(C=CC3OC2CCCC)NS(=O)(=O)C
Tpsa:
96.61
Logp:
4.0835
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
7