CS-0915170
Gefitinib 3,4-Difluoro Impurity HCl
Manufacturer: ChemScene
CAS Number: 184475-68-1
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₂H₂₅ClF₂N₄O₃
Molecular Weight
466.91
Synonyms
None
SMILES
Cl.FC1=CC=C(C=C1F)NC=2N=CN=C3C=C(OC)C(OCCCN4CCOCC4)=CC32
Tpsa
68.74
Logp
4.1831
H Acceptors
7
H Donors
1
Rotatable Bonds
8
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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: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₅ClF₂N₄O₃
Molecular Weight: 466.91
Synonyms: None
SMILES: Cl.FC1=CC=C(C=C1F)NC=2N=CN=C3C=C(OC)C(OCCCN4CCOCC4)=CC32
Tpsa: 68.74
Logp: 4.1831
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 8
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₅ClF₂N₄O₃
Molecular Weight:
466.91
Synonyms:
None
SMILES:
Cl.FC1=CC=C(C=C1F)NC=2N=CN=C3C=C(OC)C(OCCCN4CCOCC4)=CC32
Tpsa:
68.74
Logp:
4.1831
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
8
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₈N₂O₃
Molecular Weight: 132.12
Synonyms: None
SMILES: O=C(OC(=O)CN)CN
Tpsa: 95.41
Logp: -2.0264
H Acceptors: 5
H Donors: 2
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:
C₄H₈N₂O₃
Molecular Weight:
132.12
Synonyms:
None
SMILES:
O=C(OC(=O)CN)CN
Tpsa:
95.41
Logp:
-2.0264
H Acceptors:
5
H Donors:
2
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: C₃₁H₃₂ClF₂NO₃
Molecular Weight: 540.04
Synonyms: None
SMILES: O=C(C1=CC=C(F)C=C1)CCCC(C(=O)C2=CC=C(F)C=C2)CCN3CCC(O)(C4=CC=C(Cl)C=C4)CC3
Tpsa: 57.61
Logp: 6.844
H Acceptors: 4
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:
C₃₁H₃₂ClF₂NO₃
Molecular Weight:
540.04
Synonyms:
None
SMILES:
O=C(C1=CC=C(F)C=C1)CCCC(C(=O)C2=CC=C(F)C=C2)CCN3CCC(O)(C4=CC=C(Cl)C=C4)CC3
Tpsa:
57.61
Logp:
6.844
H Acceptors:
4
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: C₂₁H₂₃ClFNO
Molecular Weight: 359.86
Synonyms: None
SMILES: O=C(C1=CC=C(F)C=C1)CCCN2CCC(C3=CC=C(Cl)C=C3)CC2
Tpsa: 20.31
Logp: 5.3216
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₃ClFNO
Molecular Weight:
359.86
Synonyms:
None
SMILES:
O=C(C1=CC=C(F)C=C1)CCCN2CCC(C3=CC=C(Cl)C=C3)CC2
Tpsa:
20.31
Logp:
5.3216
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
6