CS-1001975
Brexpiprazole Impurity 117
Manufacturer: ChemScene
CAS Number: 1700655-62-4
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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
C₁₄H₁₆N₂OS
Molecular Weight
260.35
Synonyms
None
SMILES
O=C(N1CCN(C=2C=CC=C3SC=CC32)CC1)C
Tpsa
23.55
Logp
2.5698
H Acceptors
3
H Donors
0
Rotatable Bonds
1
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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: C₁₄H₁₆N₂OS
Molecular Weight: 260.35
Synonyms: None
SMILES: O=C(N1CCN(C=2C=CC=C3SC=CC32)CC1)C
Tpsa: 23.55
Logp: 2.5698
H Acceptors: 3
H Donors: 0
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:
C₁₄H₁₆N₂OS
Molecular Weight:
260.35
Synonyms:
None
SMILES:
O=C(N1CCN(C=2C=CC=C3SC=CC32)CC1)C
Tpsa:
23.55
Logp:
2.5698
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₄H₇₁NO₁₃
Molecular Weight: 822.03
Synonyms: None
SMILES: O=C1N2[C@](C(=O)O[C@H](\C(=C\[C@H]3C[C@@H](OC)[C@H](O)CC3)\C)[C@H](C)[C@@H](O)CC(=O)[C@H](CC=C)/C=C(\C)/C[C@H](C)C[C@H](OC)[C@@H](O)[C@@H](OC)C[C@@H](C)C1(C(O)=O)O)(CCCC2)[H]
Tpsa: 209.59
Logp: 4.1591
H Acceptors: 12
H Donors: 5
Rotatable Bonds: 8
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₄H₇₁NO₁₃
Molecular Weight:
822.03
Synonyms:
None
SMILES:
O=C1N2[C@](C(=O)O[C@H](\C(=C\[C@H]3C[C@@H](OC)[C@H](O)CC3)\C)[C@H](C)[C@@H](O)CC(=O)[C@H](CC=C)/C=C(\C)/C[C@H](C)C[C@H](OC)[C@@H](O)[C@@H](OC)C[C@@H](C)C1(C(O)=O)O)(CCCC2)[H]
Tpsa:
209.59
Logp:
4.1591
H Acceptors:
12
H Donors:
5
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₇N₃
Molecular Weight: 287.36
Synonyms: None
SMILES: N#CC(C=1C=CC=CC1)(C=2C=CC=CC2)CCN3C=NC=C3
Tpsa: 41.61
Logp: 3.78308
H Acceptors: 3
H Donors: 0
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:
C₁₉H₁₇N₃
Molecular Weight:
287.36
Synonyms:
None
SMILES:
N#CC(C=1C=CC=CC1)(C=2C=CC=CC2)CCN3C=NC=C3
Tpsa:
41.61
Logp:
3.78308
H Acceptors:
3
H Donors:
0
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: C₂₁H₂₁N₃
Molecular Weight: 315.41
Synonyms: None
SMILES: N#CC(C=1C=CC=CC1)(C=2C=CC=CC2)CCN3C=CN=C3CC
Tpsa: 41.61
Logp: 4.34548
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₁N₃
Molecular Weight:
315.41
Synonyms:
None
SMILES:
N#CC(C=1C=CC=CC1)(C=2C=CC=CC2)CCN3C=CN=C3CC
Tpsa:
41.61
Logp:
4.34548
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
6