CS-1001901
Posaconazole Impurity 90
Manufacturer: ChemScene
CAS Number: 165115-82-2
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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
C₁₉H₁₉F₂IO₂
Molecular Weight
444.25
Synonyms
None
SMILES
C(I)[C@@]1(C[C@H](COCC2=CC=CC=C2)CO1)C3=C(F)C=C(F)C=C3
Tpsa
18.46
Logp
4.8484
H Acceptors
2
H Donors
0
Rotatable Bonds
6
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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: C₁₉H₁₉F₂IO₂
Molecular Weight: 444.25
Synonyms: None
SMILES: C(I)[C@@]1(C[C@H](COCC2=CC=CC=C2)CO1)C3=C(F)C=C(F)C=C3
Tpsa: 18.46
Logp: 4.8484
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:
C₁₉H₁₉F₂IO₂
Molecular Weight:
444.25
Synonyms:
None
SMILES:
C(I)[C@@]1(C[C@H](COCC2=CC=CC=C2)CO1)C3=C(F)C=C(F)C=C3
Tpsa:
18.46
Logp:
4.8484
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: C₂₉H₃₆O₁₀
Molecular Weight: 544.59
Synonyms: None
SMILES: O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@H](O)C(=O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)[C@@H](O)C5)[H]
Tpsa: 159.82
Logp: 1.0818
H Acceptors: 10
H Donors: 4
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:
C₂₉H₃₆O₁₀
Molecular Weight:
544.59
Synonyms:
None
SMILES:
O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@H](O)C(=O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)[C@@H](O)C5)[H]
Tpsa:
159.82
Logp:
1.0818
H Acceptors:
10
H Donors:
4
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: C₈H₁₃BrO₂
Molecular Weight: 221.09
Synonyms: None
SMILES: C(O)(=O)[C@@H]1CC[C@H](CBr)CC1
Tpsa: 37.3
Logp: 2.2723
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:
C₈H₁₃BrO₂
Molecular Weight:
221.09
Synonyms:
None
SMILES:
C(O)(=O)[C@@H]1CC[C@H](CBr)CC1
Tpsa:
37.3
Logp:
2.2723
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: C₁₃H₂₁N₃O₃S
Molecular Weight: 299.39
Synonyms: None
SMILES: C(N(C(N[C@@H](C(C)C)C(O)=O)=O)C)C=1N=C(CC)SC1
Tpsa: 82.53
Logp: 1.9561
H Acceptors: 4
H Donors: 2
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:
C₁₃H₂₁N₃O₃S
Molecular Weight:
299.39
Synonyms:
None
SMILES:
C(N(C(N[C@@H](C(C)C)C(O)=O)=O)C)C=1N=C(CC)SC1
Tpsa:
82.53
Logp:
1.9561
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
6