CS-1002840
Brexpiprazole Impurity 111
Manufacturer: ChemScene
CAS Number: 2245315-85-7
The price for this product is unavailable. Please request a quote
Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₁H₃₃N₃O₂S
Molecular Weight
511.68
Synonyms
None
SMILES
O=C(C=CC=1C=CC=CC1)NC=2C=CC=C(OCCCCN3CCN(C=4C=CC=C5SC=CC54)CC3)C2
Tpsa
44.81
Logp
6.5344
H Acceptors
5
H Donors
1
Rotatable Bonds
10
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
Compare Similar Items
Show Difference
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₁H₃₃N₃O₂S
Molecular Weight: 511.68
Synonyms: None
SMILES: O=C(C=CC=1C=CC=CC1)NC=2C=CC=C(OCCCCN3CCN(C=4C=CC=C5SC=CC54)CC3)C2
Tpsa: 44.81
Logp: 6.5344
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₃₃N₃O₂S
Molecular Weight:
511.68
Synonyms:
None
SMILES:
O=C(C=CC=1C=CC=CC1)NC=2C=CC=C(OCCCCN3CCN(C=4C=CC=C5SC=CC54)CC3)C2
Tpsa:
44.81
Logp:
6.5344
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₀ClNO₂
Molecular Weight: 329.82
Synonyms: None
SMILES: O=C(C=CC=1C=CC=CC1)NC=2C=CC=C(OCCCCCl)C2
Tpsa: 38.33
Logp: 4.7363
H Acceptors: 2
H Donors: 1
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:
C₁₉H₂₀ClNO₂
Molecular Weight:
329.82
Synonyms:
None
SMILES:
O=C(C=CC=1C=CC=CC1)NC=2C=CC=C(OCCCCCl)C2
Tpsa:
38.33
Logp:
4.7363
H Acceptors:
2
H Donors:
1
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: C₃₀H₄₆ClN₃O₁₃
Molecular Weight: 692.15
Synonyms: None
SMILES: N(C(=O)C1=C2C(=C(N)C(Cl)=C1)CCO2)(C3(CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H](CO)O3)C5CCN(CCCOC)CC5
Tpsa: 237.33
Logp: -2.5741
H Acceptors: 15
H Donors: 8
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:
C₃₀H₄₆ClN₃O₁₃
Molecular Weight:
692.15
Synonyms:
None
SMILES:
N(C(=O)C1=C2C(=C(N)C(Cl)=C1)CCO2)(C3(CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H](CO)O3)C5CCN(CCCOC)CC5
Tpsa:
237.33
Logp:
-2.5741
H Acceptors:
15
H Donors:
8
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: C₃₀H₄₆ClN₃O₁₃
Molecular Weight: 692.15
Synonyms: None
SMILES: N(C1(CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O1)C3=C4C(=C(C(NC5CCN(CCCOC)CC5)=O)C=C3Cl)OCC4
Tpsa: 232.13
Logp: -2.4568
H Acceptors: 15
H Donors: 9
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:
C₃₀H₄₆ClN₃O₁₃
Molecular Weight:
692.15
Synonyms:
None
SMILES:
N(C1(CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O1)C3=C4C(=C(C(NC5CCN(CCCOC)CC5)=O)C=C3Cl)OCC4
Tpsa:
232.13
Logp:
-2.4568
H Acceptors:
15
H Donors:
9
Rotatable Bonds:
13