CS-1001792
Doravirine Impurity 5
Manufacturer: ChemScene
CAS Number: 1613307-27-9
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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
C₁₁H₁₀ClNO₃
Molecular Weight
239.66
Synonyms
None
SMILES
N#CC1=CC(Cl)=CC(OCC(=O)OCC)=C1
Tpsa
59.32
Logp
2.15358
H Acceptors
4
H Donors
0
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1613307-27-9 | Acetic acid, 2-(3-chloro-5-cyanophenoxy)-, ethyl ester | A2B Chem | -- |
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: C₁₁H₁₀ClNO₃
Molecular Weight: 239.66
Synonyms: None
SMILES: N#CC1=CC(Cl)=CC(OCC(=O)OCC)=C1
Tpsa: 59.32
Logp: 2.15358
H Acceptors: 4
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:
C₁₁H₁₀ClNO₃
Molecular Weight:
239.66
Synonyms:
None
SMILES:
N#CC1=CC(Cl)=CC(OCC(=O)OCC)=C1
Tpsa:
59.32
Logp:
2.15358
H Acceptors:
4
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: C₃₂H₄₄O₁₃
Molecular Weight: 636.68
Synonyms: None
SMILES: C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O[C@@H](OC(/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=O)\C)\C)/C)/C)=O)[C@H](O)[C@@H](O)[C@@H]2O
Tpsa: 212.67
Logp: -0.1936
H Acceptors: 13
H Donors: 7
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₄₄O₁₃
Molecular Weight:
636.68
Synonyms:
None
SMILES:
C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O[C@@H](OC(/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=O)\C)\C)/C)/C)=O)[C@H](O)[C@@H](O)[C@@H]2O
Tpsa:
212.67
Logp:
-0.1936
H Acceptors:
13
H Donors:
7
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₃F₂N₃O₂
Molecular Weight: 269.25
Synonyms: None
SMILES: [C@@](CN1C=NC=N1)([C@@H](C)O)(O)C2=C(F)C=C(F)C=C2
Tpsa: 71.17
Logp: 0.8249
H Acceptors: 5
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:
C₁₂H₁₃F₂N₃O₂
Molecular Weight:
269.25
Synonyms:
None
SMILES:
[C@@](CN1C=NC=N1)([C@@H](C)O)(O)C2=C(F)C=C(F)C=C2
Tpsa:
71.17
Logp:
0.8249
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
4
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₂H₃₂F₂N₈O₃
Molecular Weight: 614.65
Synonyms: None
SMILES: C([C@@]1(C[C@H](COC2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)N5C(=O)NN=C5)CO1)C6=C(F)C=C(F)C=C6)N7C=NC=N7
Tpsa: 106.33
Logp: 3.7679
H Acceptors: 10
H Donors: 1
Rotatable Bonds: 9
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₂F₂N₈O₃
Molecular Weight:
614.65
Synonyms:
None
SMILES:
C([C@@]1(C[C@H](COC2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)N5C(=O)NN=C5)CO1)C6=C(F)C=C(F)C=C6)N7C=NC=N7
Tpsa:
106.33
Logp:
3.7679
H Acceptors:
10
H Donors:
1
Rotatable Bonds:
9