CS-1002064
Efavirenz Impurity 39
Manufacturer: ChemScene
CAS Number: 177530-96-0
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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
C₁₈H₁₉ClF₃NO₂
Molecular Weight
373.80
Synonyms
None
SMILES
O=C(NC1=CC=C(Cl)C=C1C(O)(C#CC2CC2)C(F)(F)F)C(C)(C)C
Tpsa
49.33
Logp
4.4879
H Acceptors
2
H Donors
2
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₉ClF₃NO₂
Molecular Weight: 373.80
Synonyms: None
SMILES: O=C(NC1=CC=C(Cl)C=C1C(O)(C#CC2CC2)C(F)(F)F)C(C)(C)C
Tpsa: 49.33
Logp: 4.4879
H Acceptors: 2
H Donors: 2
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:
C₁₈H₁₉ClF₃NO₂
Molecular Weight:
373.80
Synonyms:
None
SMILES:
O=C(NC1=CC=C(Cl)C=C1C(O)(C#CC2CC2)C(F)(F)F)C(C)(C)C
Tpsa:
49.33
Logp:
4.4879
H Acceptors:
2
H Donors:
2
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: C₂₀H₂₈O₄
Molecular Weight: 332.43
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OCOC)=CC4)(CC1)[H])[H])(C[C@H](O)[C@@H]2O)[H]
Tpsa: 58.92
Logp: 2.8571
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:
C₂₀H₂₈O₄
Molecular Weight:
332.43
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OCOC)=CC4)(CC1)[H])[H])(C[C@H](O)[C@@H]2O)[H]
Tpsa:
58.92
Logp:
2.8571
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₅FNaO₄S
Molecular Weight: 369.36
Synonyms: None
SMILES: [Na].O=C1C(C2=CC=CC(F)=C2)=C(OC1(C)C)C=3C=CC(=CC3)S(=O)O
Tpsa: 63.6
Logp: 3.2717
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₅FNaO₄S
Molecular Weight:
369.36
Synonyms:
None
SMILES:
[Na].O=C1C(C2=CC=CC(F)=C2)=C(OC1(C)C)C=3C=CC(=CC3)S(=O)O
Tpsa:
63.6
Logp:
3.2717
H Acceptors:
3
H Donors:
1
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: C₁₀H₁₃NO₂
Molecular Weight: 179.22
Synonyms: None
SMILES: O=C(OC=1C=CC=CC1)C(N)(C)C
Tpsa: 52.32
Logp: 1.3293
H Acceptors: 3
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:
C₁₀H₁₃NO₂
Molecular Weight:
179.22
Synonyms:
None
SMILES:
O=C(OC=1C=CC=CC1)C(N)(C)C
Tpsa:
52.32
Logp:
1.3293
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2