CS-1001229
Neticonazole Impurity 2
Manufacturer: ChemScene
CAS Number: 138206-84-5
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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
C₁₇H₂₂N₂OS
Molecular Weight
302.43
Synonyms
None
SMILES
C(=C/SC)(\C1=C(OCCCCC)C=CC=C1)/N2C=CN=C2
Tpsa
27.05
Logp
4.6618
H Acceptors
4
H Donors
0
Rotatable Bonds
8
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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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₂N₂OS
Molecular Weight: 302.43
Synonyms: None
SMILES: C(=C/SC)(\C1=C(OCCCCC)C=CC=C1)/N2C=CN=C2
Tpsa: 27.05
Logp: 4.6618
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₂N₂OS
Molecular Weight:
302.43
Synonyms:
None
SMILES:
C(=C/SC)(\C1=C(OCCCCC)C=CC=C1)/N2C=CN=C2
Tpsa:
27.05
Logp:
4.6618
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₂₃FIN₅O₆
Molecular Weight: 647.39
Synonyms: None
SMILES: O=C(NC1=CC=CC(=C1)N2C(=O)N(C(=O)C=3C(=NC4=CC=C(I)C=C4F)N(C(=O)C(OO)(C32)C)C)C5CC5)C
Tpsa: 135.23
Logp: 3.2913
H Acceptors: 9
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₂₃FIN₅O₆
Molecular Weight:
647.39
Synonyms:
None
SMILES:
O=C(NC1=CC=CC(=C1)N2C(=O)N(C(=O)C=3C(=NC4=CC=C(I)C=C4F)N(C(=O)C(OO)(C32)C)C)C5CC5)C
Tpsa:
135.23
Logp:
3.2913
H Acceptors:
9
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₇NO₂
Molecular Weight: 207.27
Synonyms: None
SMILES: O=C(OCC)C(C=1C=CC=CC1N)CC
Tpsa: 52.32
Logp: 2.3255
H Acceptors: 3
H Donors: 1
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:
C₁₂H₁₇NO₂
Molecular Weight:
207.27
Synonyms:
None
SMILES:
O=C(OCC)C(C=1C=CC=CC1N)CC
Tpsa:
52.32
Logp:
2.3255
H Acceptors:
3
H Donors:
1
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: C₃₈H₄₀N₂O₃
Molecular Weight: 572.74
Synonyms: None
SMILES: [C@@H](CN(CC1=CC=CC=C1)C2CC=3C(C2)=CC(CC)=C(CC)C3)(O)C4=C5C(=C(OCC6=CC=CC=C6)C=C4)NC(=O)C=C5
Tpsa: 65.56
Logp: 6.9349
H Acceptors: 4
H Donors: 2
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:
C₃₈H₄₀N₂O₃
Molecular Weight:
572.74
Synonyms:
None
SMILES:
[C@@H](CN(CC1=CC=CC=C1)C2CC=3C(C2)=CC(CC)=C(CC)C3)(O)C4=C5C(=C(OCC6=CC=CC=C6)C=C4)NC(=O)C=C5
Tpsa:
65.56
Logp:
6.9349
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
11