CS-1013892
Roflumilast Dihydroxy Impurity
Manufacturer: ChemScene
CAS Number: 1412448-29-3
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₂H₈Cl₂N₂O₃
Molecular Weight
299.11
Synonyms
None
SMILES
O=C(NC=1C(Cl)=CN=CC1Cl)C2=CC=C(O)C(O)=C2
Tpsa
82.45
Logp
3.0519
H Acceptors
4
H Donors
3
Rotatable Bonds
2
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₈Cl₂N₂O₃
Molecular Weight: 299.11
Synonyms: None
SMILES: O=C(NC=1C(Cl)=CN=CC1Cl)C2=CC=C(O)C(O)=C2
Tpsa: 82.45
Logp: 3.0519
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₈Cl₂N₂O₃
Molecular Weight:
299.11
Synonyms:
None
SMILES:
O=C(NC=1C(Cl)=CN=CC1Cl)C2=CC=C(O)C(O)=C2
Tpsa:
82.45
Logp:
3.0519
H Acceptors:
4
H Donors:
3
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: C₂₂H₂₄FN₃O₄S
Molecular Weight: 445.51
Synonyms: None
SMILES: C(C)(C)C1=C2C(C=3C([C@@](C2)([C@]4(OC(=O)C=CC4)[H])[H])=CC(F)=CC3)=NC(N(S(C)(=O)=O)C)=N1
Tpsa: 89.46
Logp: 3.3133
H Acceptors: 6
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:
C₂₂H₂₄FN₃O₄S
Molecular Weight:
445.51
Synonyms:
None
SMILES:
C(C)(C)C1=C2C(C=3C([C@@](C2)([C@]4(OC(=O)C=CC4)[H])[H])=CC(F)=CC3)=NC(N(S(C)(=O)=O)C)=N1
Tpsa:
89.46
Logp:
3.3133
H Acceptors:
6
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: C₂₂H₂₄FN₃O₄S
Molecular Weight: 445.51
Synonyms: None
SMILES: C(C)(C)C1=C2C(C=3C([C@](C2)([C@]4(OC(=O)C=CC4)[H])[H])=CC(F)=CC3)=NC(N(S(C)(=O)=O)C)=N1
Tpsa: 89.46
Logp: 3.3133
H Acceptors: 6
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:
C₂₂H₂₄FN₃O₄S
Molecular Weight:
445.51
Synonyms:
None
SMILES:
C(C)(C)C1=C2C(C=3C([C@](C2)([C@]4(OC(=O)C=CC4)[H])[H])=CC(F)=CC3)=NC(N(S(C)(=O)=O)C)=N1
Tpsa:
89.46
Logp:
3.3133
H Acceptors:
6
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: C₁₇H₁₈N₆O
Molecular Weight: 322.36
Synonyms: None
SMILES: [C@H](CC#N)(N1C=C(C2=C3C(=NC=N2)NC=C3)C=N1)C4(C(O)CCC4)[H]
Tpsa: 103.41
Logp: 2.43718
H Acceptors: 6
H Donors: 2
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:
C₁₇H₁₈N₆O
Molecular Weight:
322.36
Synonyms:
None
SMILES:
[C@H](CC#N)(N1C=C(C2=C3C(=NC=N2)NC=C3)C=N1)C4(C(O)CCC4)[H]
Tpsa:
103.41
Logp:
2.43718
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
4