CS-0100380
N-[(4-Chloro-3-nitrophenyl)sulfonyl]-4-[4-[[2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl]piperazin-1-yl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
Manufacturer: ChemScene
CAS Number: 1257044-99-7
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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
C₃₉H₃₈Cl₂N₆O₆S
Molecular Weight
789.73
Synonyms
Venclexta Impurity 3
SMILES
O=C(NS(=O)(C1=CC=C(Cl)C([N+]([O-])=O)=C1)=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CC(C)(C)CC4)CC3)C=C2OC6=CN=C(NC=C7)C7=C6
Tpsa
150.77
Logp
8.4748
H Acceptors
9
H Donors
2
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
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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: C₃₉H₃₈Cl₂N₆O₆S
Molecular Weight: 789.73
Synonyms: Venclexta Impurity 3
SMILES: O=C(NS(=O)(C1=CC=C(Cl)C([N+]([O-])=O)=C1)=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CC(C)(C)CC4)CC3)C=C2OC6=CN=C(NC=C7)C7=C6
Tpsa: 150.77
Logp: 8.4748
H Acceptors: 9
H Donors: 2
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:
C₃₉H₃₈Cl₂N₆O₆S
Molecular Weight:
789.73
Synonyms:
Venclexta Impurity 3
SMILES:
O=C(NS(=O)(C1=CC=C(Cl)C([N+]([O-])=O)=C1)=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CC(C)(C)CC4)CC3)C=C2OC6=CN=C(NC=C7)C7=C6
Tpsa:
150.77
Logp:
8.4748
H Acceptors:
9
H Donors:
2
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: C₁₆H₂₂N₂O₅
Molecular Weight: 322.36
Synonyms: None
SMILES: COCCOC1=CC2=NC=NC(OCC)=C2C=C1OCCOC
Tpsa: 71.93
Logp: 2.0789
H Acceptors: 7
H Donors: 0
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:
C₁₆H₂₂N₂O₅
Molecular Weight:
322.36
Synonyms:
None
SMILES:
COCCOC1=CC2=NC=NC(OCC)=C2C=C1OCCOC
Tpsa:
71.93
Logp:
2.0789
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
10
Purity: 97%
MDL No: MFCD30803950
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₇ClFNO₂
Molecular Weight: 225.69
Synonyms: ethyl 2-(4-fluoropiperidin-4-yl)acetate hydrochloride
SMILES: O=C(OCC)CC1(F)CCNCC1.[H]Cl
Tpsa: 38.33
Logp: 1.4531
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
97%
MDL No:
MFCD30803950
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₇ClFNO₂
Molecular Weight:
225.69
Synonyms:
ethyl 2-(4-fluoropiperidin-4-yl)acetate hydrochloride
SMILES:
O=C(OCC)CC1(F)CCNCC1.[H]Cl
Tpsa:
38.33
Logp:
1.4531
H Acceptors:
3
H Donors:
1
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: C₂₂H₂₅N₃O₄
Molecular Weight: 395.45
Synonyms: N-(3-Ethenylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
SMILES: COCCOC1=CC2=NC=NC(NC3=CC=CC(C=C)=C3)=C2C=C1OCCOC
Tpsa: 74.73
Logp: 4.0668
H Acceptors: 7
H Donors: 1
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:
C₂₂H₂₅N₃O₄
Molecular Weight:
395.45
Synonyms:
N-(3-Ethenylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
SMILES:
COCCOC1=CC2=NC=NC(NC3=CC=CC(C=C)=C3)=C2C=C1OCCOC
Tpsa:
74.73
Logp:
4.0668
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
11