CS-0027584
Regorafenib N-oxide and N-desmethyl (M5)
Manufacturer: ChemScene
CAS Number: 835621-12-0
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Purity
98%
MDL No
None
Storage
4°C
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₀H₁₃ClF₄N₄O₄
Molecular Weight
484.79
Synonyms
N-Desmethyl regorafenib N-oxide
SMILES
O=C(C1=CC(OC2=CC=C(NC(NC3=CC=C(Cl)C(C(F)(F)F)=C3)=O)C(F)=C2)=CC=[N+]1[O-])N
Tpsa
120.39
Logp
4.6665
H Acceptors
4
H Donors
3
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 835621-12-0 | N-Desmethyl Regorafenib N-Oxide (M5 Metabolite) | A2B Chem | ₹ 2,909.04 - ₹ 37,389.72 |
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
3077
Class
9
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
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Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₁₃ClF₄N₄O₄
Molecular Weight: 484.79
Synonyms: N-Desmethyl regorafenib N-oxide
SMILES: O=C(C1=CC(OC2=CC=C(NC(NC3=CC=C(Cl)C(C(F)(F)F)=C3)=O)C(F)=C2)=CC=[N+]1[O-])N
Tpsa: 120.39
Logp: 4.6665
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₁₃ClF₄N₄O₄
Molecular Weight:
484.79
Synonyms:
N-Desmethyl regorafenib N-oxide
SMILES:
O=C(C1=CC(OC2=CC=C(NC(NC3=CC=C(Cl)C(C(F)(F)F)=C3)=O)C(F)=C2)=CC=[N+]1[O-])N
Tpsa:
120.39
Logp:
4.6665
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
5
Purity: 98%
MDL No: MFCD24386486
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₅N₃O₄S
Molecular Weight: 415.51
Synonyms: 2-[2-[4-(5,5-Dioxidodibenzo[b,f][1,4]thiazepin-11-yl)-1-piperazinyl]ethoxy]ethanol; Quetiapine Sulfone (HCl Salt)
SMILES: O=S1(C2=CC=CC=C2N=C(N3CCN(CCOCCO)CC3)C4=CC=CC=C41)=O
Tpsa: 82.44
Logp: 1.5376
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
MFCD24386486
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₅N₃O₄S
Molecular Weight:
415.51
Synonyms:
2-[2-[4-(5,5-Dioxidodibenzo[b,f][1,4]thiazepin-11-yl)-1-piperazinyl]ethoxy]ethanol; Quetiapine Sulfone (HCl Salt)
SMILES:
O=S1(C2=CC=CC=C2N=C(N3CCN(CCOCCO)CC3)C4=CC=CC=C41)=O
Tpsa:
82.44
Logp:
1.5376
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: MFCD04114705
Storage: -20°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₆N₂O₂
Molecular Weight: 280.32
Synonyms: None
SMILES: O=C(CC1=C(C2=CC=C(C)C=C2)N=C3C=CC(C)=CN31)O
Tpsa: 54.6
Logp: 3.24524
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD04114705
Storage:
-20°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₆N₂O₂
Molecular Weight:
280.32
Synonyms:
None
SMILES:
O=C(CC1=C(C2=CC=C(C)C=C2)N=C3C=CC(C)=CN31)O
Tpsa:
54.6
Logp:
3.24524
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD09832923
Storage: -20°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₈O₄
Molecular Weight: 320.42
Synonyms: Antibiotic MB 530A; Lovastatin diol lactone
SMILES: O=C1C[C@H](O)C[C@@H](CC[C@H]2[C@@H](C)C=CC3=C[C@H](C)C[C@H](O)[C@]23[H])O1
Tpsa: 66.76
Logp: 2.5985
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD09832923
Storage:
-20°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₂₈O₄
Molecular Weight:
320.42
Synonyms:
Antibiotic MB 530A; Lovastatin diol lactone
SMILES:
O=C1C[C@H](O)C[C@@H](CC[C@H]2[C@@H](C)C=CC3=C[C@H](C)C[C@H](O)[C@]23[H])O1
Tpsa:
66.76
Logp:
2.5985
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3