CS-1002601
Efinaconazole Impurity 18
Manufacturer: ChemScene
CAS Number: 2122222-14-2
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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
C₁₂H₁₃F₂N₃O₂
Molecular Weight
269.25
Synonyms
None
SMILES
[C@](CN1C=NN=C1)([C@@H](C)O)(O)C2=C(F)C=C(F)C=C2
Tpsa
71.17
Logp
0.8249
H Acceptors
5
H Donors
2
Rotatable Bonds
4
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: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₃F₂N₃O₂
Molecular Weight: 269.25
Synonyms: None
SMILES: [C@](CN1C=NN=C1)([C@@H](C)O)(O)C2=C(F)C=C(F)C=C2
Tpsa: 71.17
Logp: 0.8249
H Acceptors: 5
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:
C₁₂H₁₃F₂N₃O₂
Molecular Weight:
269.25
Synonyms:
None
SMILES:
[C@](CN1C=NN=C1)([C@@H](C)O)(O)C2=C(F)C=C(F)C=C2
Tpsa:
71.17
Logp:
0.8249
H Acceptors:
5
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: C₈H₁₁NO₃S
Molecular Weight: 201.24
Synonyms: None
SMILES: O=S(=O)(O)CC1=CC=C(C=C1)NC
Tpsa: 66.4
Logp: 1.1161
H Acceptors: 3
H Donors: 2
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:
C₈H₁₁NO₃S
Molecular Weight:
201.24
Synonyms:
None
SMILES:
O=S(=O)(O)CC1=CC=C(C=C1)NC
Tpsa:
66.4
Logp:
1.1161
H Acceptors:
3
H Donors:
2
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: C₁₇H₁₇Cl₂N
Molecular Weight: 306.23
Synonyms: None
SMILES: ClC1=C([C@H]2C=3C([C@H](NC)CC2)=CC=CC3)C=CC=C1Cl
Tpsa: 12.03
Logp: 5.1796
H Acceptors: 1
H Donors: 1
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:
C₁₇H₁₇Cl₂N
Molecular Weight:
306.23
Synonyms:
None
SMILES:
ClC1=C([C@H]2C=3C([C@H](NC)CC2)=CC=CC3)C=CC=C1Cl
Tpsa:
12.03
Logp:
5.1796
H Acceptors:
1
H Donors:
1
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: C₁₅H₂₈N₄O₄
Molecular Weight: 328.41
Synonyms: None
SMILES: [C@H](C(CC)CC)(NC(C)=O)[C@]1([C@H](NC(=N)N)C[C@H](C(O)=O)[C@H]1O)[H]
Tpsa: 148.53
Logp: -0.13943
H Acceptors: 4
H Donors: 6
Rotatable Bonds: 7
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₈N₄O₄
Molecular Weight:
328.41
Synonyms:
None
SMILES:
[C@H](C(CC)CC)(NC(C)=O)[C@]1([C@H](NC(=N)N)C[C@H](C(O)=O)[C@H]1O)[H]
Tpsa:
148.53
Logp:
-0.13943
H Acceptors:
4
H Donors:
6
Rotatable Bonds:
7