CS-1002828
Posaconazole Impurity 16
Manufacturer: ChemScene
CAS Number: 2243786-07-2
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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
C₂₀H₁₈ClF₂N₃O₄S
Molecular Weight
469.89
Synonyms
None
SMILES
C([C@@]1(C[C@@H](COS(=O)(=O)C2=CC=C(Cl)C=C2)CO1)C3=C(F)C=C(F)C=C3)N4C=NC=N4
Tpsa
83.31
Logp
3.5472
H Acceptors
7
H Donors
0
Rotatable Bonds
7
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: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₁₈ClF₂N₃O₄S
Molecular Weight: 469.89
Synonyms: None
SMILES: C([C@@]1(C[C@@H](COS(=O)(=O)C2=CC=C(Cl)C=C2)CO1)C3=C(F)C=C(F)C=C3)N4C=NC=N4
Tpsa: 83.31
Logp: 3.5472
H Acceptors: 7
H Donors: 0
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:
C₂₀H₁₈ClF₂N₃O₄S
Molecular Weight:
469.89
Synonyms:
None
SMILES:
C([C@@]1(C[C@@H](COS(=O)(=O)C2=CC=C(Cl)C=C2)CO1)C3=C(F)C=C(F)C=C3)N4C=NC=N4
Tpsa:
83.31
Logp:
3.5472
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₇N₃O₅
Molecular Weight: 367.36
Synonyms: None
SMILES: O=C(NCC(=O)NO)C=1N=C(C=2C=C(OC=3C=CC=CC3)C=CC2C1O)C
Tpsa: 120.78
Logp: 2.27632
H Acceptors: 6
H Donors: 4
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:
C₁₉H₁₇N₃O₅
Molecular Weight:
367.36
Synonyms:
None
SMILES:
O=C(NCC(=O)NO)C=1N=C(C=2C=C(OC=3C=CC=CC3)C=CC2C1O)C
Tpsa:
120.78
Logp:
2.27632
H Acceptors:
6
H Donors:
4
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: C₁₇H₁₄N₂O₃
Molecular Weight: 294.30
Synonyms: None
SMILES: O=C(N)C=1N=C(C=2C=C(OC=3C=CC=CC3)C=CC2C1O)C
Tpsa: 85.44
Logp: 3.14002
H Acceptors: 4
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:
C₁₇H₁₄N₂O₃
Molecular Weight:
294.30
Synonyms:
None
SMILES:
O=C(N)C=1N=C(C=2C=C(OC=3C=CC=CC3)C=CC2C1O)C
Tpsa:
85.44
Logp:
3.14002
H Acceptors:
4
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: C₂₉H₂₆F₄N₄O₆
Molecular Weight: 602.53
Synonyms: None
SMILES: O(C)C1=C2N(C=C(C(NCC3=C(F)C=C(F)C=C3)=O)C1=O)C=CN([C@@H](CCOC(NCC4=C(F)C=C(F)C=C4)=O)C)C2=O
Tpsa: 120.14
Logp: 3.8337
H Acceptors: 8
H Donors: 2
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₂₆F₄N₄O₆
Molecular Weight:
602.53
Synonyms:
None
SMILES:
O(C)C1=C2N(C=C(C(NCC3=C(F)C=C(F)C=C3)=O)C1=O)C=CN([C@@H](CCOC(NCC4=C(F)C=C(F)C=C4)=O)C)C2=O
Tpsa:
120.14
Logp:
3.8337
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
10