CS-1013854
Elvitegravir Ethyl Ester Impurity
Manufacturer: ChemScene
CAS Number: 949465-91-2
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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
C₂₅H₂₇ClFNO₅
Molecular Weight
475.94
Synonyms
None
SMILES
[C@H](C(C)C)(CO)N1C=2C(=CC(CC3=C(F)C(Cl)=CC=C3)=C(OC)C2)C(=O)C(C(OCC)=O)=C1
Tpsa
77.76
Logp
4.7595
H Acceptors
6
H Donors
1
Rotatable Bonds
8
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: C₂₅H₂₇ClFNO₅
Molecular Weight: 475.94
Synonyms: None
SMILES: [C@H](C(C)C)(CO)N1C=2C(=CC(CC3=C(F)C(Cl)=CC=C3)=C(OC)C2)C(=O)C(C(OCC)=O)=C1
Tpsa: 77.76
Logp: 4.7595
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₇ClFNO₅
Molecular Weight:
475.94
Synonyms:
None
SMILES:
[C@H](C(C)C)(CO)N1C=2C(=CC(CC3=C(F)C(Cl)=CC=C3)=C(OC)C2)C(=O)C(C(OCC)=O)=C1
Tpsa:
77.76
Logp:
4.7595
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₂₅ClFNO₅
Molecular Weight: 461.91
Synonyms: None
SMILES: [C@H](C(C)C)(CO)N1C=2C(=CC(CC3=C(F)C(Cl)=CC=C3)=C(OC)C2)C(=O)C(C(OC)=O)=C1
Tpsa: 77.76
Logp: 4.3694
H Acceptors: 6
H Donors: 1
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:
C₂₄H₂₅ClFNO₅
Molecular Weight:
461.91
Synonyms:
None
SMILES:
[C@H](C(C)C)(CO)N1C=2C(=CC(CC3=C(F)C(Cl)=CC=C3)=C(OC)C2)C(=O)C(C(OC)=O)=C1
Tpsa:
77.76
Logp:
4.3694
H Acceptors:
6
H Donors:
1
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: C₂₅H₃₀ClN₃O₅
Molecular Weight: 487.98
Synonyms: None
SMILES: Cl.OC(C#CC1=CC=CC(=C1)NC=2N=CN=C3C=C(OCCOC)C(OCCOC)=CC32)(C)C
Tpsa: 94.96
Logp: 3.968
H Acceptors: 8
H Donors: 2
Rotatable Bonds: 10
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₃₀ClN₃O₅
Molecular Weight:
487.98
Synonyms:
None
SMILES:
Cl.OC(C#CC1=CC=CC(=C1)NC=2N=CN=C3C=C(OCCOC)C(OCCOC)=CC32)(C)C
Tpsa:
94.96
Logp:
3.968
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: C₂₈H₃₈O₅
Molecular Weight: 454.60
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@](C=4C(C(=O)C3)=CC(OC(CCCC)=O)=CC4)(CC1)[H])[H])(CC[C@@H]2OC(CCCC)=O)[H]
Tpsa: 69.67
Logp: 6.3805
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₃₈O₅
Molecular Weight:
454.60
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@](C=4C(C(=O)C3)=CC(OC(CCCC)=O)=CC4)(CC1)[H])[H])(CC[C@@H]2OC(CCCC)=O)[H]
Tpsa:
69.67
Logp:
6.3805
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
8