CS-0009759
4-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)-3-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)-3-fluorophenoxy)phenoxy)-N-methylpicolinamide
Manufacturer: ChemScene
CAS Number: 2098799-13-2
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Purity
98%
MDL No
None
Storage
4°C, protect from light
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₅H₂₃Cl₂F₇N₆O₅
Molecular Weight
811.49
Synonyms
Regorafenib (1-(4-Chloro-3-(trifluoromethyl)phenyl)urea)dimer
SMILES
FC(F)(F)C1=CC(NC(NC2=C(F)C=C(OC3=CC(OC4=CC=NC(C(NC)=O)=C4)=CC=C3NC(NC5=CC(C(F)(F)F)=C(Cl)C=C5)=O)C=C2)=O)=CC=C1Cl
Tpsa
142.71
Logp
10.7973
H Acceptors
6
H Donors
5
Rotatable Bonds
9
Related Products
SAFETY INFORMATION
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: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₅H₂₃Cl₂F₇N₆O₅
Molecular Weight: 811.49
Synonyms: Regorafenib (1-(4-Chloro-3-(trifluoromethyl)phenyl)urea)dimer
SMILES: FC(F)(F)C1=CC(NC(NC2=C(F)C=C(OC3=CC(OC4=CC=NC(C(NC)=O)=C4)=CC=C3NC(NC5=CC(C(F)(F)F)=C(Cl)C=C5)=O)C=C2)=O)=CC=C1Cl
Tpsa: 142.71
Logp: 10.7973
H Acceptors: 6
H Donors: 5
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₅H₂₃Cl₂F₇N₆O₅
Molecular Weight:
811.49
Synonyms:
Regorafenib (1-(4-Chloro-3-(trifluoromethyl)phenyl)urea)dimer
SMILES:
FC(F)(F)C1=CC(NC(NC2=C(F)C=C(OC3=CC(OC4=CC=NC(C(NC)=O)=C4)=CC=C3NC(NC5=CC(C(F)(F)F)=C(Cl)C=C5)=O)C=C2)=O)=CC=C1Cl
Tpsa:
142.71
Logp:
10.7973
H Acceptors:
6
H Donors:
5
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₅ClF₃N
Molecular Weight: 195.57
Synonyms: None
SMILES: NC1=C(Cl)C(C(F)(F)F)=CC=C1
Tpsa: 26.02
Logp: 2.941
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₅ClF₃N
Molecular Weight:
195.57
Synonyms:
None
SMILES:
NC1=C(Cl)C(C(F)(F)F)=CC=C1
Tpsa:
26.02
Logp:
2.941
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₈ClNOS.₁/₂H₂O
Molecular Weight: 244.78
Synonyms: None
SMILES: C[C@@H]1SC[C@]2(CN3CCC2CC3)O1.Cl.[0.5 H2O]
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₈ClNOS.₁/₂H₂O
Molecular Weight:
244.78
Synonyms:
None
SMILES:
C[C@@H]1SC[C@]2(CN3CCC2CC3)O1.Cl.[0.5 H2O]
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: MFCD16660665
Storage: -80°C, protect from light, stored under nitrogen
Shipping: Shipping with dry ice.
Molecular Formula: C₁₂H₁₆O₂
Molecular Weight: 192.26
Synonyms: None
SMILES: O=C1O[C@@H](CCCC)C2=C1C=CCC2
Tpsa: 26.3
Logp: 2.7486
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD16660665
Storage:
-80°C, protect from light, stored under nitrogen
Shipping:
Shipping with dry ice.
Molecular Formula:
C₁₂H₁₆O₂
Molecular Weight:
192.26
Synonyms:
None
SMILES:
O=C1O[C@@H](CCCC)C2=C1C=CCC2
Tpsa:
26.3
Logp:
2.7486
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3