CS-1013850
(R)-Efavirenz Benzoyl Amino Impurity
Manufacturer: ChemScene
CAS Number: 353270-77-6
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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
C₂₁H₁₇ClF₃NO₃
Molecular Weight
423.81
Synonyms
None
SMILES
[C@](C#CC1CC1)([C@@](F)(F)F)(O)C2=C(NC(=O)C3=CC=C(OC)C=C3)C=CC(Cl)=C2
Tpsa
58.56
Logp
4.7642
H Acceptors
3
H Donors
2
Rotatable Bonds
4
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: C₂₁H₁₇ClF₃NO₃
Molecular Weight: 423.81
Synonyms: None
SMILES: [C@](C#CC1CC1)([C@@](F)(F)F)(O)C2=C(NC(=O)C3=CC=C(OC)C=C3)C=CC(Cl)=C2
Tpsa: 58.56
Logp: 4.7642
H Acceptors: 3
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:
C₂₁H₁₇ClF₃NO₃
Molecular Weight:
423.81
Synonyms:
None
SMILES:
[C@](C#CC1CC1)([C@@](F)(F)F)(O)C2=C(NC(=O)C3=CC=C(OC)C=C3)C=CC(Cl)=C2
Tpsa:
58.56
Logp:
4.7642
H Acceptors:
3
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: C₂₂H₂₄N₂O₂S
Molecular Weight: 380.50
Synonyms: None
SMILES: C(C=1C=2C(NC1)=CC=C(/C=C/S(=O)(=O)C3=CC=CC=C3)C2)[C@@H]4N(C)CCC4
Tpsa: 53.17
Logp: 4.2492
H Acceptors: 3
H Donors: 1
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:
C₂₂H₂₄N₂O₂S
Molecular Weight:
380.50
Synonyms:
None
SMILES:
C(C=1C=2C(NC1)=CC=C(/C=C/S(=O)(=O)C3=CC=CC=C3)C2)[C@@H]4N(C)CCC4
Tpsa:
53.17
Logp:
4.2492
H Acceptors:
3
H Donors:
1
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: C₁₇H₁₆ClFO₃
Molecular Weight: 322.76
Synonyms: None
SMILES: O=C(C=1C=C(C(OC)=CC1OC)CC=2C=CC=C(Cl)C2F)C
Tpsa: 35.53
Logp: 4.2897
H Acceptors: 3
H Donors: 0
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:
C₁₇H₁₆ClFO₃
Molecular Weight:
322.76
Synonyms:
None
SMILES:
O=C(C=1C=C(C(OC)=CC1OC)CC=2C=CC=C(Cl)C2F)C
Tpsa:
35.53
Logp:
4.2897
H Acceptors:
3
H Donors:
0
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: C₁₅H₁₂ClFO₃
Molecular Weight: 294.71
Synonyms: None
SMILES: O=C(C1=CC=C(OC)C=C1OC)C=2C=CC=C(Cl)C2F
Tpsa: 35.53
Logp: 3.7273
H Acceptors: 3
H Donors: 0
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:
C₁₅H₁₂ClFO₃
Molecular Weight:
294.71
Synonyms:
None
SMILES:
O=C(C1=CC=C(OC)C=C1OC)C=2C=CC=C(Cl)C2F
Tpsa:
35.53
Logp:
3.7273
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
4