CS-1003371
Brexpiprazole Impurity D
Manufacturer: ChemScene
CAS Number: 2749405-36-3
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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
C₂₉H₃₄ClN₃O₂S
Molecular Weight
524.12
Synonyms
None
SMILES
O=C1C=CC=2C=CC(OCCCCN3CCN(C=4C=CC=C5SC=CC54)CC3)=CC2N1CCCCCl
Tpsa
37.71
Logp
6.2164
H Acceptors
6
H Donors
0
Rotatable Bonds
11
Related Products
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: C₂₉H₃₄ClN₃O₂S
Molecular Weight: 524.12
Synonyms: None
SMILES: O=C1C=CC=2C=CC(OCCCCN3CCN(C=4C=CC=C5SC=CC54)CC3)=CC2N1CCCCCl
Tpsa: 37.71
Logp: 6.2164
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₃₄ClN₃O₂S
Molecular Weight:
524.12
Synonyms:
None
SMILES:
O=C1C=CC=2C=CC(OCCCCN3CCN(C=4C=CC=C5SC=CC54)CC3)=CC2N1CCCCCl
Tpsa:
37.71
Logp:
6.2164
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
11
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₃BrN₆O₂
Molecular Weight: 401.22
Synonyms: None
SMILES: O=C1NC(=O)N(C=2N=C(Br)N(C12)CC3=NC=4C=CC=CC4C(=N3)C)C
Tpsa: 98.46
Logp: 1.48572
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₃BrN₆O₂
Molecular Weight:
401.22
Synonyms:
None
SMILES:
O=C1NC(=O)N(C=2N=C(Br)N(C12)CC3=NC=4C=CC=CC4C(=N3)C)C
Tpsa:
98.46
Logp:
1.48572
H Acceptors:
7
H Donors:
1
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: C₃₆H₃₈N₆O₃
Molecular Weight: 602.73
Synonyms: None
SMILES: O=C1N(N=C(C)C1(C2=C(O)N(N=C2C)C3=CC=C(C(=C3)C)C)C4=C(O)N(N=C4C)C5=CC=C(C(=C5)C)C)C6=CC=C(C(=C6)C)C
Tpsa: 108.77
Logp: 6.64536
H Acceptors: 8
H Donors: 2
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:
C₃₆H₃₈N₆O₃
Molecular Weight:
602.73
Synonyms:
None
SMILES:
O=C1N(N=C(C)C1(C2=C(O)N(N=C2C)C3=CC=C(C(=C3)C)C)C4=C(O)N(N=C4C)C5=CC=C(C(=C5)C)C)C6=CC=C(C(=C6)C)C
Tpsa:
108.77
Logp:
6.64536
H Acceptors:
8
H Donors:
2
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: C₁₅H₁₈O₃
Molecular Weight: 246.30
Synonyms: None
SMILES: O=C(OCC)CC1=CCCC=2C=CC(OC)=CC21
Tpsa: 35.53
Logp: 2.978
H Acceptors: 3
H Donors: 0
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:
C₁₅H₁₈O₃
Molecular Weight:
246.30
Synonyms:
None
SMILES:
O=C(OCC)CC1=CCCC=2C=CC(OC)=CC21
Tpsa:
35.53
Logp:
2.978
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
4