CS-1013861
Etravirine butanamide Impurity
Manufacturer: ChemScene
CAS Number: 2240161-92-4
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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
C₂₅H₂₄BrN₇O₂
Molecular Weight
534.41
Synonyms
None
SMILES
N#CC1=CC=C(C=C1)NC=2N=C(OC=3C(=CC(C#N)=CC3C)C)C(Br)=C(N2)N(C)CCCC(=O)N
Tpsa
140.95
Logp
4.8369
H Acceptors
8
H Donors
2
Rotatable Bonds
9
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: C₂₅H₂₄BrN₇O₂
Molecular Weight: 534.41
Synonyms: None
SMILES: N#CC1=CC=C(C=C1)NC=2N=C(OC=3C(=CC(C#N)=CC3C)C)C(Br)=C(N2)N(C)CCCC(=O)N
Tpsa: 140.95
Logp: 4.8369
H Acceptors: 8
H Donors: 2
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₄BrN₇O₂
Molecular Weight:
534.41
Synonyms:
None
SMILES:
N#CC1=CC=C(C=C1)NC=2N=C(OC=3C(=CC(C#N)=CC3C)C)C(Br)=C(N2)N(C)CCCC(=O)N
Tpsa:
140.95
Logp:
4.8369
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₉NO₂
Molecular Weight: 291.43
Synonyms: None
SMILES: O=C(O)C(N)CCC1=CC=C(C=C1)CCCCCCCC
Tpsa: 63.32
Logp: 3.9341
H Acceptors: 2
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:
C₁₈H₂₉NO₂
Molecular Weight:
291.43
Synonyms:
None
SMILES:
O=C(O)C(N)CCC1=CC=C(C=C1)CCCCCCCC
Tpsa:
63.32
Logp:
3.9341
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
11
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₇H₆₇NO₃
Molecular Weight: 573.93
Synonyms: None
SMILES: O=C(NC(CO)(CO)CCC1=CC=C(C=C1)CCCCCCCC)CCCCCCCCCCCCCCCCC
Tpsa: 69.56
Logp: 9.6233
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 29
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₆₇NO₃
Molecular Weight:
573.93
Synonyms:
None
SMILES:
O=C(NC(CO)(CO)CCC1=CC=C(C=C1)CCCCCCCC)CCCCCCCCCCCCCCCCC
Tpsa:
69.56
Logp:
9.6233
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
29
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₂₉FO₇
Molecular Weight: 448.48
Synonyms: None
SMILES: C(C(O)=O)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(C)(C)O2)[H])([C@]4([C@]([C@@H](O)C3)([C@]5(C)C([C@@H](F)C4)=CC(=O)C=C5)[H])[H])[H]
Tpsa: 110.13
Logp: 2.367
H Acceptors: 6
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:
C₂₄H₂₉FO₇
Molecular Weight:
448.48
Synonyms:
None
SMILES:
C(C(O)=O)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(C)(C)O2)[H])([C@]4([C@]([C@@H](O)C3)([C@]5(C)C([C@@H](F)C4)=CC(=O)C=C5)[H])[H])[H]
Tpsa:
110.13
Logp:
2.367
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
2